arXiv:2606. 21333v2 Announce Type: replace Abstract: Graph Neural Networks (GNNs) have emerged as a powerful paradigm for learning on graph-structured data by iteratively propagating and aggregating information across edges.
By Hugo Attali, Rachid El Jouhri
arXiv:2605. 15354v2 Announce Type: replace Abstract: Despite the success of foundation models in language and vision, molecular graph generation still lacks a unified framework for heterogeneous design tasks with reliable controllability.
By Yihan Zhu, Yuhan Liu, Weijiang Li, Tengfei Luo, Meng Jiang
arXiv:2509. 24256v2 Announce Type: replace-cross Abstract: The pretrain-transfer paradigm, which underpins the success of large language models (LLMs), has demonstrated the immense power of creating foundation models that learn generalizable representations from vast datasets.
By Yunhao Liang, Pujun Zhang, Yuan Qu, Jingyuan Yang, Shaochong Lin, Zuo-jun Max Shen
arXiv:2606. 05067v1 Announce Type: new Abstract: The Deep Graph Generation's panorama spans two extremes: one-shot and sequential models.
By Samuel Cognolato, Alessandro Sperduti, Luciano Serafini
arXiv:2607. 09277v1 Announce Type: new Abstract: Three-dimensional (3D) molecule generation has been dominated by diffusion models, which achieve strong generation quality but typically require the molecular size to be specified a priori.
By Federico Ottomano, Gaopeng Ren, Yingzhen Li, Kim E. Jelfs, Alex M. Ganose
arXiv:2509. 22468v2 Announce Type: replace-cross Abstract: High-quality molecular representations are essential for property prediction and molecular design, yet large labeled datasets remain scarce.
By Boshra Ariguib, Mathias Niepert, Andrei Manolache