A Theoretically-Principled Sparse, Connected, and Rigid Graph Representation of Molecules

Shih-Hsin Wang, Yuhao Huang, Justin M. Baker, Yuan-En Sun, Qi Tang +1 more
2/12/2026

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@article{wang2026theoreticallyprincipled,
  title  = {A Theoretically-Principled Sparse, Connected, and Rigid Graph Representation of Molecules},
  author = {Shih-Hsin Wang and Yuhao Huang and Justin M. Baker and Yuan-En Sun and Qi Tang and Bao Wang},
  year   = {2026},
  url    = {https://api.semanticscholar.org/CorpusID:96cd19e259382d6015df08a17c00196100c048fd},
  journal = {ICLR 2025 2025}
}

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