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
HiMPO, a Hindsight-Informed Memory Policy Optimization framework for assigning less-entangled credit to memory-writing actions in long-horizon agents, improves over strong memory-based and RL-based baselines while preserving compressed-context efficiency.
Jiang-Ze Yan, Yili Shen, Wen-Jing Zhang et al.· arXiv.org· 1 citation
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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