arXiv AI By Laura van Weesep, Riccardo Tedoldi, Jens Sj\"olund, Hossein Azizpour, Susanne Winiwarter, Ola Engkvist, Jon Paul Janet, Samuel Genheden, Juan Viguera Diez

Can LLMs Reliably Annotate Bioassay Metadata to Improve Data Readiness?

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arXiv Machine Learning
5d ago

Interpretable-by-Design Descriptor Portfolios Match a 2048-Dimensional Foundation Embedding on Low-Data Molecular Assays

The study evaluates whether a portfolio of compact, semantically named descriptor blocks can match the performance of a 2048‑dimensional CheMeleon embedding in low‑data molecular assays. Using a fixed 11‑dimensional physicochemical base and greedily adding provenance‑screened blocks, the portfolio achieves a mean test AUC of 0.762 across nine ADME/Tox assays, comparable to CheMeleon’s 0.764 and better than Mordred’s 0.756. The results meet a predeclared pooled parity threshold but not all per‑assay thresholds, and further analysis confirms the competitiveness of the auditable representation while highlighting unresolved assay‑level differences.

By Yiqi Yao, Miquel Duran-Frigola
arXiv Computation and Language
6d ago

Where Does Retrieval-Based Open-Ended Evaluation Fail? Automatic Taxonomy Induction from Long-Form Medical Answer Factuality Verification

The paper investigates why retrieval‑based open‑ended evaluation fails in medical fact verification. By creating two detailed taxonomies—one for retrieval‑stage errors across five quality dimensions and another for verifier‑reasoning errors across six steps—the authors automatically label evidence quality and reasoning errors using an LLM‑as‑Judge pipeline. Their large‑scale stress tests across multiple retrieval methods and verifier models show that increasing model size, reasoning effort, source breadth, or medical fine‑tuning does not eliminate these failure modes, indicating fundamental limits of the retrieve‑then‑verify paradigm in open‑ended medical contexts.

By Heyuan Huang, Jirui Dai, Alexandra DeLucia, Sonal Joshi, Mahsa Yarmohammadi, Jie Gao, Bernal Jim\'enez Guti\'errez, Mark Dredze