Research map / Graph learning / Graph self-supervised learning
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
Read the paperCheck your idea against 108,967 papers
AI-extracted summary. Written by AI from the paper's title only (no summary yet). Numbers and claims can be wrong or missing context, so check the paper before you cite or build on it.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use N-Gram Graph instead of ECFP with RF | RF · Delaney test | RMSE: 1.251 -> 0.802 | Helped |
| Use N-Gram Graph instead of ECFP with RF | RF · Malaria test | RMSE: 1.011 -> 1.011 | No clear effect |
| Use N-Gram Graph instead of ECFP with RF | RF · CEP test | RMSE: 1.667 -> 1.367 | Helped |
| Use N-Gram Graph instead of ECFP with XGB | XGB · Delaney test | RMSE: 1.120 -> 0.771 | Helped |
| Use N-Gram Graph instead of ECFP with XGB | XGB · Malaria test | RMSE: 0.998 -> 1.003 | Hurt |
| Use N-Gram Graph instead of ECFP with XGB | XGB · CEP test | RMSE: 1.442 -> 1.296 | Helped |
| Use N-Gram Graph instead of ECFP with DNN | DNN · Delaney test | RMSE: 1.40 -> 0.665 | Helped |
| Use N-Gram Graph instead of ECFP with DNN | DNN · Malaria test | RMSE: 1.13 -> 1.085 | Helped |
| Use N-Gram Graph instead of ECFP with DNN | DNN · CEP test | RMSE: 2.00 -> 1.359 | Helped |
Closest papers by meaning
- Pre-Training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck (AAAI 2025 · similarity 0.88)
- HAGO-Net: Hierarchical Geometric Message Passing for Molecular Representation Learning (AAAI 2024 · similarity 0.88)
- MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation (ICLR 2025 · similarity 0.88)
- Enhancing Molecular Representation Learning Through the Combination of 3D and 2D Graph Machine Learning (Student Abstract) (AAAI 2025 · similarity 0.87)
- On the Scalability of GNNs for Molecular Graphs (NeurIPS 2024 · similarity 0.87)
- Representing Molecules as Random Walks Over Interpretable Grammars (ICML 2024 · similarity 0.87)
Writing a paper in this area? scime draft is a free LaTeX editor with AI included, real-time co-authors and a check of your references and venue rules before you submit. It also imports OpenAI Prism projects.