This tutorial provides a unified introduction to modern generative modeling approaches for molecular generation, covering their theoretical foundations, algorithmic design, and practical considerations for molecular representations such as 1D SMILES strings, 2D molecular graphs, and 3D structures.
Ke-Han Guo, Yili Shen, Jeehyun Hwang et al.· Proceedings of the 32nd ACM...· 0 citations
The International Workshop on AI for Cognitive and Mental Health Support is proposed, a half-day interdisciplinary forum that brings together researchers and practitioners from data mining, machine learning, NLP, NLP, HCI, healthcare, and social sciences to advance trustworthy, effective, and socially responsible AI so...
Xiang-Meng Wang, Hao-Yang Li, Chen Li et al.· Proceedings of the 32nd ACM...· 0 citations
The findings show that the trust signals encoded in directed graphs can be harnessed to substantially improve the robustness of GNNs and point to a novel and promising direction for strengthening the robustness of graph deep learning.
Zhi-Chao Hou, Xitong Zhang, Wei Wang et al.· ACM Transactions on Knowledg...· 0 citations
The International Workshop on AI for Cognitive and Mental Health Support is proposed, a half-day interdisciplinary forum that brings together researchers and practitioners from data mining, machine learning, NLP, NLP, HCI, healthcare, and social sciences to advance trustworthy, effective, and socially responsible AI so...
Xiangmeng Wang, Haoyang Li, Chen Li et al.· Proceedings of the 32nd ACM...· 0 citations
This tutorial provides a unified introduction to modern generative modeling approaches for molecular generation, covering their theoretical foundations, algorithmic design, and practical considerations for molecular representations such as 1D SMILES strings, 2D molecular graphs, and 3D structures.
Kehan Guo, Yili Shen, Jeeyhun Hwang et al.· Proceedings of the 32nd ACM...· 0 citations
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