arXiv AI

KG-TRACE: A Neuro-Symbolic Framework for Mechanistic Grounding in Antimicrobial Resistance Prediction

arXiv:2606. 26179v1 Announce Type: cross Abstract: While WGS-based AMR prediction has reached high accuracy, existing models lack a mechanism to ground neural attributions in established biological pathways.

arXiv Machine Learning
Sep 22

Tool-Augmented On-Policy Distillation for LLM Domain Adaptation in Sequence-Based Omics Tasks

The paper introduces OmicsBench, a new reasoning benchmark for multi‑omics sequences that includes 1,160 expert‑validated questions across DNA regulation, RNA processing, and protein function tasks, requiring traceable evidence chains. Evaluation of 17 large language models shows that scientific LLMs, while more accurate in classification, often lack valid evidence, suggesting shortcut learning. To address this, the authors propose tool‑augmented on‑policy distillation (TA‑OPD), a post‑training method that improves both evidence grounding and predictive performance across five Qwen3.5 models of varying sizes.

By Jie Ying, Zhefan Wang, Zihong Chen, Zhengqing Li, Jinzhe Li, Gang Li, Jian Liu, Fang Hu, Tao Luo, Zhonghang Yuan, Wanli Ouyang, Stan Z. Li, Fan Yang, Nanqing Dong
arXiv Computation and Language
Sep 14

HypoKG: Evidence-Disciplined Biomedical Hypothesis Generation Beyond Endpoint Knowledge

The paper introduces HypoKG, a unified biochemical knowledge graph built from KEGG, Rhea, and UniProt, and uses it to benchmark 13,200 biomedical hypotheses generated by six large language models (LLMs). By varying the biological information provided—source enzyme only, full biological path, or source and disease endpoint—the study finds that LLMs produce higher-scoring hypotheses when given minimal information, but these are less evidence‑grounded. When supplied with the full biological path, the models generate hypotheses that align more closely with known mechanistic relationships, a phenomenon the authors term evidence‑disciplined reasoning, which is confirmed by shuffling intermediate path steps. "whyItMatters":"The study demonstrates that knowledge graphs can both uncover novel disease–enzyme pairs and guide LLMs to reason more accurately from evidence, improving the reliability of AI‑generated biomedical hypotheses."

By Dominic Okonkwo, Adetayo Okunoye, Ismailcem Budak Arpinar
arXiv AI
Aug 11

Biologically Informed Representation Learning for Robust Cross-Center Generalization of MALDI-TOF Mass Spectrometry

arXiv:2608. 08182v1 Announce Type: cross Abstract: Machine learning models for MALDI-TOF mass spectrometry have shown considerable promise for clinical microbiology tasks such as microbial identification and antimicrobial resistance prediction.

By Alejandro L. Garc\'ia-Navarro, Carlos Sevilla-Salcedo, Bel\'en Rodr\'iguez-S\'anchez, Vanessa G\'omez-Verdejo
arXiv Machine Learning
Jun 5

Symb-xMIL: Symbolic Explanations for Multiple Instance Learning in Digital Pathology

arXiv:2606. 06224v1 Announce Type: cross Abstract: Explanations of multiple instance learning (MIL) models are widely used for validation and discovery in digital histopathology.

By Yanqing Luo (Berlin Institute for the Foundations of Learning and Data, Berlin, Germany, Machine Learning Group, Technische Universit\"at Berlin, Berlin, Germany), Julius Hense (Berlin Institute for the Foundations of Learning and Data, Berlin, Germany, Machine Learning Group, Technische Universit\"at Berlin, Berlin, Germany), Niklas Preni{\ss}l (Institute of Pathology, Charit\'e Universit\"atsmedizin, Berlin, Germany, Berlin Institute of Health at Charit\'e -- Universit\"atsmedizin Berlin, BIH Biomedical Innovation Academy, BIH Charit\'e Digital Clinician Scientist Program, Berlin, Germany), Andreas Mock (Institute of Pathology, Ludwig Maximilian University of Munich, Munich, Germany, Division of Translational Medical Oncology, DKFZ, Heidelberg, Germany, NCT Heidelberg, Heidelberg, Germany, German Cancer Consortium), Klaus-Robert M\"uller (Berlin Institute for the Foundations of Learning and Data, Berlin, Germany, Machine Learning Group, Technische Universit\"at Berlin, Berlin, Germany, Department of Artificial Intelligence, Korea University, Seoul, Korea, Max-Planck Institute for Informatics, Saarbr\"ucken, Germany), Thomas Schnake (Department of Chemistry, Chemical Physics Theory Group, University of Toronto, Canada, Vector Institute for Artificial Intelligence, Toronto, Canada, Acceleration Consortium, University of Toronto, Canada), Mina Jamshidi Idaji (Berlin Institute for the Foundations of Learning and Data, Berlin, Germany, Machine Learning Group, Technische Universit\"at Berlin, Berlin, Germany)
arXiv AI
Aug 5

A Blind Spot in Alignment: Quantifying Biosecurity Risks in Large Language Models

arXiv:2608. 02684v1 Announce Type: cross Abstract: Large Language Models (LLMs) are accelerating biological research, yet this same capability poses a critical biosecurity threat: models that assist in protein engineering can equally be prompted to generate predicted toxin-like sequences, potentially lowering the barrier to biological misuse.

By Shu Quan, Tianfang Hao, Sitong Fang, He Geng, Jiayi Zhou, Boyuan Chen, Kaile Wang, Donghai Hong, Juntao Dai, Yaodong Yang, Jiaming Ji