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High-content perturbation experiments allow scientists to probe biomolecular systems at unprecedented resolution, but experimental and analysis costs pose significant barriers to widespread adoption. Machine learning has the potential to…

Artificial Intelligence · Computer Science 2025-03-03 Menghua Wu , Russell Littman , Jacob Levine , Lin Qiu , Tommaso Biancalani , David Richmond , Jan-Christian Huetter

Agents based on large language models have shown great potential in accelerating scientific discovery by leveraging their rich background knowledge and reasoning capabilities. In this paper, we introduce BioDiscoveryAgent, an agent that…

Artificial Intelligence · Computer Science 2025-03-11 Yusuf Roohani , Andrew Lee , Qian Huang , Jian Vora , Zachary Steinhart , Kexin Huang , Alexander Marson , Percy Liang , Jure Leskovec

Advancements in large language models (LLMs) allow them to address diverse questions using human-like interfaces. Still, limitations in their training prevent them from answering accurately in scenarios that could benefit from multiple…

Artificial Intelligence · Computer Science 2025-04-09 Yoshitaka Inoue , Tianci Song , Xinling Wang , Augustin Luna , Tianfan Fu

Understanding complex biomolecular mechanisms requires multi-step reasoning across molecular interactions, signaling cascades, and metabolic pathways. While large language models(LLMs) show promise in such tasks, their application to…

Artificial Intelligence · Computer Science 2025-11-12 Tianwen Lyu , Xiang Zhuang , Keyan Ding , Xinzhe Cao , Lei Liang , Wei Zhao , Qiang Zhang , Huajun Chen

Predicting cellular responses to genetic perturbations represents a fundamental challenge in systems biology, critical for advancing therapeutic discovery and virtual cell modeling. While large language models (LLMs) show promise for…

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

Artificial Intelligence · Computer Science 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

Answering complex medical questions requires not only domain expertise and patient-specific information, but also structured and multi-perspective reasoning. Existing multi-agent approaches often rely on fixed roles or shallow interaction…

Artificial Intelligence · Computer Science 2026-03-04 Siqi Ma , Jiajie Huang , Fan Zhang , Yue Shen , Jinlin Wu , Guohui Fan , Zhu Zhang , Zelin Zang

Cellular response to a perturbation is the result of a dynamic system of biological variables linked in a complex network. A major challenge in drug and disease studies is identifying the key factors of a biological network that are…

Applications · Statistics 2014-09-02 Lisa M. Pham , Luis Carvalho , Scott Schaus , Eric D. Kolaczyk

Large-scale single-cell and Perturb-seq investigations routinely involve clustering cells and subsequently annotating each cluster with Gene-Ontology (GO) terms to elucidate the underlying biological programs. However, both stages,…

Comprehending genomic information is essential for biomedical research, yet extracting data from complex distributed databases remains challenging. Large language models (LLMs) offer potential for genomic Question Answering (QA) but face…

Artificial Intelligence · Computer Science 2026-01-16 Kimia Abedini , Farzad Shami , Gianmaria Silvello

Single-cell RNA sequencing (scRNA-seq) data analysis is crucial for biological research, as it enables the precise characterization of cellular heterogeneity. However, manual manipulation of various tools to achieve desired outcomes can be…

Artificial Intelligence · Computer Science 2024-07-16 Yihang Xiao , Jinyi Liu , Yan Zheng , Xiaohan Xie , Jianye Hao , Mingzhi Li , Ruitao Wang , Fei Ni , Yuxiao Li , Jintian Luo , Shaoqing Jiao , Jiajie Peng

Virtual cell modeling predicts molecular state changes under genetic perturbations in silico, which is essential for biological mechanism studies. However, existing approaches suffer from unconstrained reasoning, uninterpretable…

Quantitative Methods · Quantitative Biology 2026-04-23 Zhenyu Wang , Geyan Ye , Wei Liu , Man Tat Alexander Ng

Single-cell perturbation modeling is fundamental for understanding and predicting cellular responses to genetic perturbations. However, existing approaches, from causal representation learning to foundation models, often struggle with an…

Machine Learning · Computer Science 2026-05-20 Wenkang Jiang , Yuhang Liu , Yichao Cai , Erdun Gao , Jiayi Dong , Ehsan Abbasnejad , Lina Yao , Javen Qinfeng Shi

Recent advances in multimodal question answering have primarily focused on combining heterogeneous modalities or fine-tuning multimodal large language models. While these approaches have shown strong performance, they often rely on a…

Computation and Language · Computer Science 2026-04-22 Krishna Singh Rajput , Tejas Anvekar , Chitta Baral , Vivek Gupta

There are two main barriers to using large language models (LLMs) in clinical reasoning. Firstly, while LLMs exhibit significant promise in Natural Language Processing (NLP) tasks, their performance in complex reasoning and planning falls…

Artificial Intelligence · Computer Science 2024-12-31 Shengxin Hong , Liang Xiao , Xin Zhang , Jianxia Chen

Large language model (LLM)-based multi-agent systems enable expressive agent reasoning but are expensive to scale and poorly calibrated for timestep-aligned state-transition simulation, while classical agent-based models (ABMs) offer…

Multiagent Systems · Computer Science 2026-02-10 Kavana Venkatesh , Yinhan He , Jundong Li , Jiaming Cui

While Large Language Models (LLMs) have demonstrated potential in healthcare, they often struggle with the complex, non-linear reasoning required for accurate clinical diagnosis. Existing methods typically rely on static, linear mappings…

Computation and Language · Computer Science 2026-05-28 Zhuohan Ge , Haoyang Li , Yubo Wang , Nicole Hu , Chen Jason Zhang , Qing Li

Large language models (LLMs) have recently gained significant attention as a promising approach to accelerate scientific discovery. However, their application in open-ended scientific domains such as biology remains limited, primarily due…

Machine Learning · Computer Science 2026-05-21 Yunhui Jang , Lu Zhu , Jake Fawkes , Alisandra Kaye Denton , Dominique Beaini , Emmanuel Noutahi

Large language models (LLMs) have demonstrated significant reasoning capabilities in scientific discovery but struggle to bridge the gap to physical execution in wet-labs. In these irreversible environments, probabilistic hallucinations are…

Artificial Intelligence · Computer Science 2026-05-19 Yuyang Liu , Jingya Wang , Liuzhenghao Lv , Yonghong Tian

Large language models (LLMs) show promise for healthcare question answering, but clinical use is limited by weak verification, insufficient evidence grounding, and unreliable confidence signalling. We propose a multi-agent medical QA…

Computation and Language · Computer Science 2026-02-17 Naeimeh Nourmohammadi , Md Meem Hossain , The Anh Han , Safina Showkat Ara , Zia Ush Shamszaman
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