assay-transfer-tool-soft-v6.5

Intern-S1-mini SFT for small-molecule assay-transfer ranking. Given a query molecule/endpoint and a retrieval candidate, the model emits an A/B decision whose P(A) (transfer-token vs non-transfer-token logit margin) scores how likely the candidate is to transfer. Intended to feed the top-k most-likely-to-transfer candidates to a downstream predictor.

Training

  • Base: jiosephlee/Intern-S1-mini-lm (rev fcb667c)
  • Data: jiosephlee/assay-transfer-raw-pair-v6.5-intern (train split, 2M pairs)
  • Objective: two-choice soft cross-entropy over the A/B decision token (transfer/nontransfer), label-smoothed target eps + (1-2·eps)·sigmoid(z/T), eps=0.1; format-token CE weight 0.1. 1 epoch, LR 2e-5.
  • Checkpoint selected by NDCG@5 on the frozen 20-candidate validation_ranking set (100 queries): step 800 — NDCG@5 = 0.710, NDCG@10 = 0.761, Spearman = 0.60 (vs untrained baseline NDCG@5 = 0.49, Spearman = 0.08).

Usage

Load with trust_remote_code=True (custom Intern-S1 tokenizer/model code included).

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