arXiv Machine Learning September 15, 2026 By Jiaming Wang, Thomas Laurent, Xavier Bresson

Pre-training with Graph Transformers

Read the original on arXiv Machine Learning →

The paper explores pre‑training methods for graph transformers applied to biochemistry. It finds that supervised pre‑training with computed property labels yields the best improvement on downstream tasks, and it emphasizes that limiting model capacity helps prevent overfitting.

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