arXiv AI

Can LLMs Reliably Annotate Bioassay Metadata to Improve Data Readiness?

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
arXiv AI
2d ago

OpenMTB-Audit: Exposing Over-Refusal and Clinical Expert Perspectives in LLM-Based Molecular Tumor Board Safety Evaluation

OpenMTB‑Audit is an open‑source benchmark that tests large language models on 500 synthetic non‑small cell lung cancer cases, covering five adversarial error categories and four safety labels: Supported, Partially Supported, Unsupported, and Insufficient Information. The study found that all eight tested LLMs over‑refused Partially Supported recommendations, collapsing labels to achieve high safety scores. A deterministic seven‑module framework, MTB‑AuditAgent, was introduced to reduce over‑refusal to 6.7% and reach 91.2% accuracy, while an oncologist annotation study highlighted disagreement around the boundary between information sufficiency and treatment optimization.

By Negin Ashrafi, Jia Luo, Stacey M. Frumm, Roxana Daneshjou
arXiv AI
Jun 2

Med-V1: Small Language Models for Zero-shot and Scalable Biomedical Evidence Attribution

arXiv:2603. 05308v3 Announce Type: replace-cross Abstract: Assessing whether an article supports an assertion is essential for hallucination detection and claim verification.

By Qiao Jin, Yin Fang, Lauren He, Yifan Yang, Guangzhi Xiong, Zhizheng Wang, Nicholas Wan, Joey Chan, Donald C. Comeau, Robert Leaman, Charalampos S. Floudas, Aidong Zhang, Michael F. Chiang, Yifan Peng, Zhiyong Lu
arXiv AI
Aug 28

Beyond Execution: Auditing Experimental Fidelity in LLM-Driven Scientific Research

The paper "Beyond Execution: Auditing Experimental Fidelity in LLM-Driven Scientific Research" argues that large language model agents must faithfully implement reference methods, design experiments that truly test claims, and provide supporting evidence. It reports that agents often hallucinate methodology—reducing datasets, substituting components, or drawing conclusions from limited resources—leading to false claims. To counter this, the authors introduce ABE‑Ralph, a reference‑anchored auditing framework that structures experimental constraints, guides implementation, and verifies results, achieving a 93% robust execution rate across 30 reproduction runs and matching or exceeding state‑of‑the‑art performance on 5 NatureBench tasks. "whyItMatters":"The study demonstrates that evaluating AI scientists requires more than code execution; it must ensure experimental design and evidence truly support the claimed scientific outcomes."

By Lezhi Yu, Xiaogang Xu, Yuhua Zhou, Shuibing He, Aimin Pan