Shift-Robust Molecular Relational Learning with Causal Substructure

Author:

Lee Namkyeong1ORCID,Yoon Kanghoon1ORCID,Na Gyoung S.2ORCID,Kim Sein1ORCID,Park Chanyoung1ORCID

Affiliation:

1. KAIST, Daejeon, Republic of Korea

2. KRICT, Daejeon, Republic of Korea

Funder

Institute of Information & communications Technology Planning & Evaluation (IITP)

National Research Foundation of Korea (NRF)

Publisher

ACM

Reference90 articles.

1. Alexander A Alemi , Ian Fischer , Joshua V Dillon , and Kevin Murphy . 2016. Deep variational information bottleneck. arXiv preprint arXiv:1612.00410 ( 2016 ). Alexander A Alemi, Ian Fischer, Joshua V Dillon, and Kevin Murphy. 2016. Deep variational information bottleneck. arXiv preprint arXiv:1612.00410 (2016).

2. SimGNN

3. Learning-Based Efficient Graph Similarity Computation via Multi-Scale Convolutional Set Matching

4. Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

5. Elias Bareinboim , Andrew Forney , and Judea Pearl . 2015 . Bandits with unobserved confounders: A causal approach . Advances in Neural Information Processing Systems , Vol. 28 (2015). Elias Bareinboim, Andrew Forney, and Judea Pearl. 2015. Bandits with unobserved confounders: A causal approach. Advances in Neural Information Processing Systems, Vol. 28 (2015).

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