arXiv:2606. 03435v1 Announce Type: new Abstract: Cell Painting combines multiplexed fluorescent staining, high-content imaging, and quantitative analysis to generate high-dimensional phenotypic readouts to support diverse downstream tasks such as mechanism-of-action (MoA) inference, toxicity prediction, and construction of drug-disease atlases.
By Yuxin Zhang, Yiyao Li, Ping Shu Ho, Simon See, Zhenqin Wu, Kevin Tsia
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
arXiv:2606. 31085v1 Announce Type: new Abstract: Drug-drug interaction (DDI) prediction is essential for medication safety, yet it requires reasoning over heterogeneous biomedical evidence whose relevance changes across interaction mechanisms.
By Zhenqian Shen, Yu Liu, Xiaoyi Fu, Quanming Yao
arXiv:2602.00663v3 Announce Type: replace
Abstract: Optimizing molecules to achieve desired properties is a central bottleneck across the chemical sciences, particularly in the pharmaceutical industr...
By Fabian P. Kr\"uger, Andrea Hunklinger, Adrian Wolny, Tim J. Adler, Igor Tetko, Santiago David Villalba
arXiv:2603. 11872v3 Announce Type: replace-cross Abstract: Translating single-cell RNA sequencing (scRNA-seq) data into mechanistic biological hypotheses remains a critical bottleneck, as agentic AI systems lack direct access to transcriptomic representations while expression foundation models remain opaque to natural language.
By Omar Coser
arXiv:2603. 01131v3 Announce Type: replace-cross Abstract: Clinical diagnosis is a gradual process of evidence integration, in which physicians move from symptoms and medical history to examinations, competing hypotheses, disease relations, and treatment decisions.
By Yuqi Zhan, Xinyue Wu, Tianyu Lin, Yutong Bao, Xiaoyu Wang, Weihao Cheng, Huangwei Chen, Feiwei Qin, Zhu Zhu
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
arXiv:2607. 16262v1 Announce Type: cross Abstract: The acceleration of automated scientific discovery has been fundamentally bottlenecked by the epistemic gap between the semantic reasoning of large language models (LLMs) and the deterministic physics of mammalian biology.
By Christopher Baker, Tianyu Ren, Karen Rafferty, Hui Wang, Simon McDade
arXiv:2607. 11084v1 Announce Type: new Abstract: Agentic research systems are emerging as a new paradigm for coordinating scientific workflows beyond isolated model inference, code generation, or statistical analysis.
By Eddie Huang (NVIDIA AI Technology Center, NVIDIA Corporation), Ken Liao (NVIDIA AI Technology Center, NVIDIA Corporation), Iven Fu (NVIDIA AI Technology Center, NVIDIA Corporation), Yang-Hsien Lin (NVIDIA AI Technology Center, NVIDIA Corporation), Chao-Shun Zhan (NVIDIA AI Technology Center, NVIDIA Corporation), Andy Liao (NVIDIA AI Technology Center, NVIDIA Corporation), Virginia Chen (NVIDIA AI Technology Center, NVIDIA Corporation), Johnson Sun (NVIDIA AI Technology Center, NVIDIA Corporation), Pika Wang (NVIDIA AI Technology Center, NVIDIA Corporation), Richard Huang (NVIDIA AI Technology Center, NVIDIA Corporation), Jiun-Cheng Jiang (NVIDIA AI Technology Center, NVIDIA Corporation), Ting-Yuan Liu (Department of Medical Research, China Medical University Hospital, Taichung, Taiwan, Master Program for Digital Health Innovation, China Medical University, Taichung, Taiwan), Hsing-Fang Lu (Department of Medical Research, China Medical University Hospital, Taichung, Taiwan, Laboratory for Statistical and Translational Genetics, RIKEN Center for Integrative Medical Sciences, Yokohama, Japan), Ray Y. Lee (AI-Driven Genomic Medicine and Drug Discovery Lab, China Medical University Hospital, Taichung, Taiwan), Chi-Chou Liao (Department of Medical Research, China Medical University Hospital, Taichung, Taiwan), Simon See (NVIDIA AI Technology Center, NVIDIA Corporation), Fuu-Jen Tsai (Department of Medical Research, China Medical University Hospital, Taichung, Taiwan, Department of Medical Laboratory Science and Biotechnology, Asia University, Taichung, Taiwan)
arXiv:2502. 18864v2 Announce Type: replace Abstract: Scientific discovery is driven by scientists generating novel hypotheses for complex problems that undergo rigorous experimental validation.
By Juraj Gottweis, Wei-Hung Weng, Alexander Daryin, Tao Tu, Petar Sirkovic, Artiom Myaskovsky, Grzegorz Glowaty, Felix Weissenberger, Alessio Orlandi, Dan Popovici, Anil Palepu, Keran Rong, Ryutaro Tanno, Khaled Saab, Fan Zhang, Jacob Blum, Andrew Carroll, Kavita Kulkarni, Nenad Tomasev, Dina Zverinski, Ivor Rendulic, Elahe Vedadi, Florian Hasler, Luka Rimanic, Marina Boia, Ivan Budiselic, Ben Feinstein, Mathias Bellaiche, Tom Sheffer, Jan Freyberg, Jeremy Ratcliff, Ottavia Bertolli, Katherine Chou, Avinatan Hassidim, Burak Gokturk, Amin Vahdat, Yuan Guan, Vikram Dhillon, Eeshit Dhaval Vaishnav, Byron Lee, Tiago R D Costa, Jos\'e R Penad\'es, Gary Peltz, Yossi Matias, James Manyika, Demis Hassabis, Yunhan Xu, Pushmeet Kohli, Annalisa Pawlosky, Alan Karthikesalingam, Vivek Natarajan
arXiv:2408. 13378v5 Announce Type: replace Abstract: Workflows in drug-target interaction (DTI) assessment require integrating heterogeneous data from predictive models, curated resources, and observations from experimental literature.
By Yoshitaka Inoue, Tianci Song, Xinling Wang, Rui Kuang, Tianfan Fu, Augustin Luna
arXiv:2510. 17064v4 Announce Type: replace Abstract: Single-cell RNA sequencing has transformed our ability to identify diverse cell types and their transcriptomic signatures.
By Rongbin Li, Wenbo Chen, Zhao Li, Rodrigo Munoz-Castaneda, Jinbo Li, Neha S. Maurya, Arnav Solanki, Huan He, Hanwen Xing, Meaghan Ramlakhan, Zachary Wise, Nelson Johansen, Zhuhao Wu, Hua Xu, Michael Hawrylycz, W. Jim Zheng