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 AI

Jun 2

Plausibility Is Not Prediction: Contrastive Evidence for LLM-Based Cellular Perturbation Reasoning

arXiv:2606. 01042v1 Announce Type: cross Abstract: Perturbation experiments are central to understanding cellular mechanisms, but remain costly and sparse, motivating prediction of gene expression responses for unobserved conditions.

By Xinyu Yuan, Xixian Liu, Jianan Zhao, Yashi Zhang, Hongyu Guo, Jian Tang

llms

arXiv AI

Jun 12

Contextual Invertible World Models: A Neuro-Symbolic Agentic Framework for Colorectal Cancer Drug Response

arXiv:2603. 02274v3 Announce Type: replace-cross Abstract: Precision oncology is currently limited by the small-N, large-P paradox, where high-dimensional genomic data is abundant but pharmacological response samples are sparse.

By Christopher Baker, Tianyu Ren, Karen Rafferty, Hui Wang

llms agents data-engineering

arXiv Machine Learning

Jul 22

PertReason: A Knowledge-Grounded Benchmark and Framework for Cell-State-Conditioned Mechanistic Reasoning of Perturbation Effects

arXiv:2607. 18777v1 Announce Type: new Abstract: Evaluating machine learning in scientific domains requires separating correct predictions from correct reasons under realistic distribution shifts.

By Dongkwan Kim, Yiming Gao, Yining Yang, Yang Shen

llms benchmarks

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

benchmarks safety

arXiv Machine Learning

Jul 16

Screening of Biosecurity Features in Metagenomic Data with Evo 2 Probes

arXiv:2607. 14070v1 Announce Type: cross Abstract: Genomic foundation models such as Evo 2 learn rich sequence representations, but their value for biosecurity screening is largely unexplored.

By Jeremy Guntoro, Alexander Dack, Dylan Danno, Michaela Jan\v{c}ovi\v{c}ov\'a, Kri\v{z}an Jurinovi\'c, Vanessa Smilansky

rag fine-tuning

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)

safety

arXiv AI

Jun 30

MARS: A neurosymbolic approach for interpretable drug discovery

arXiv:2410. 05289v4 Announce Type: replace Abstract: Background: Neurosymbolic (NeSy) artificial intelligence describes the combination of logic or rule-based techniques with neural networks.

By Lauren Nicole DeLong, Yojana Gadiya, Paola Galdi, Jacques D. Fleuriot, Daniel Domingo-Fern\'andez

benchmarks safety

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

llms safety

arXiv AI

Jun 4

Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?

arXiv:2506. 10912v4 Announce Type: replace Abstract: Toxicity remains a leading cause of early-stage drug development failure.

By Fei Lin, Ziyang Gong, Cong Wang, Tengchao Zhang, Yonglin Tian, Yining Jiang, Ji Dai, Chao Guo, Xiaotong Yu, Xue Yang, Gen Luo, Fei-Yue Wang

llms efficiency multimodal benchmarks safety

arXiv AI

Jun 18

SciHorizon-GENE: Benchmarking LLM for Life Sciences Inference from Gene Knowledge to Functional Understanding

arXiv:2601. 12805v4 Announce Type: replace-cross Abstract: Large language models (LLMs) have shown growing promise in biomedical research, particularly for knowledge-driven interpretation tasks.

By Xiaohan Huang, Meng Xiao, Chuan Qin, Qingqing Long, Jinmiao Chen, Yuanchun Zhou, Hengshu Zhu

llms benchmarks safety

arXiv Machine Learning

Jun 18

Contextualizing Biological Language Models across Modalities via Logit-Space Contrastive Alignment

arXiv:2606. 18703v1 Announce Type: new Abstract: Pretrained biological language models expose per-token probability distributions through masked-token prediction, providing the likelihood interface central to sequence design, variant scoring, and mechanistic interpretation.

By Yanjun Shao, Yundi Chen, Yashvi Patel, Aurelien Pelissier, Mar\'ia Rodr\'iguez Mart\'inez

llms rag nlp multimodal benchmarks safety

arXiv Machine Learning

Jun 4

SpliceBind: Isoform-Aware Prediction of Binding Pocket Druggability

arXiv:2606. 04020v1 Announce Type: cross Abstract: Splice-mediated drug resistance occurs in up to 40% of patients on targeted kinase inhibitors, yet state-of-the-art druggability tools operate on single structures and cannot compare across isoforms.

By Bryan Cheng, Austin Jin, Joshua Chang

rag benchmarks

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