Intern-S1-mini assay-transfer model: Carcinogens degree 24

Validation-selected checkpoint for the Carcinogens V27 degree-24 assay-transfer task. The checkpoint was selected at training step 500 using the joint ID/OOD level-macro MAE@3.

Provenance

  • Base model: jiosephlee/Intern-S1-mini-lm (revision fcb667c380ae01f57693a45b4b5c2d331052a107)
  • Training data: jiosephlee/assay-transfer-record-level-v27-carcinogens-general-intern
  • Dataset revision: 086291e05ee17c87fb3933075d1d57680acb2c3c
  • Training setup: 10 scheduled epochs, device batch size 4, gradient accumulation 4, 8 GPUs, FlashAttention-2, padding-free BFD packing, soft-target loss
  • Selection metric: Carcinogens/degree24/overall/knn_regression_id_ood_level_macro_mae_at_3
  • Best validation metric: 0.8675038371

The run was stopped after the best checkpoint had been preserved; this uploaded directory is that best checkpoint.

Held-out test comparison

Metrics are on the joint ID/OOD test panel. Lower MAE is better; higher Spearman and Top-1@3 are better.

Method Macro MAE@3 Macro MAE@5 Spearman Spearman@3 Top-1@3
This model 0.5587 0.5541 0.4197 -0.0286 0.1438
Morgan fingerprint (vanilla) 0.8142 0.8046 -0.0211 0.0506 0.0771
Morgan fingerprint (weighted) 0.7630 0.7327 -0.0177 0.0095 0.0685

The test evaluation is logged in Weights & Biases.

Usage

Load with the standard Transformers APIs and use trust_remote_code=True for the bundled tokenizer implementation.

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