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Hypothesis generation in biomedical research has traditionally centered on uncovering hidden relationships within vast scientific literature, often using methods like Literature-Based Discovery (LBD). Despite progress, current approaches…

Computation and Language · Computer Science 2025-11-13 Fuyi Yang , Chenchen Ye , Mingyu Derek Ma , Yijia Xiao , Matthew Yang , Wei Wang

Large language models (LLMs) are increasingly being used for complex research tasks such as literature review, idea generation, and scientific paper analysis, yet their ability to truly understand and process the intricate relationships…

Computation and Language · Computer Science 2025-06-11 Shashidhar Reddy Javaji , Yupeng Cao , Haohang Li , Yangyang Yu , Nikhil Muralidhar , Zining Zhu

We introduce a novel large language model (LLM)-driven agent framework, which iteratively refines queries and filters contextual evidence by leveraging dynamically evolving knowledge. A defining feature of the system is its decoupling of…

Artificial Intelligence · Computer Science 2025-04-02 Seyoung Song

We advocate the development of a discipline of interacting with and extracting information from models, both mathematical (e.g. game-theoretic ones) and computational (e.g. agent-based models). We outline some directions for the development…

Multiagent Systems · Computer Science 2021-02-24 Gabriel Istrate

Neuroscience data are highly fragmented across labs, formats, and experimental paradigms, and reuse often requires substantial manual effort. A persistent roadblock to data reuse and integration is the need to decipher bespoke and diverse…

Machine Learning · Computer Science 2026-05-15 Ling-Qi Zhang , Kristin Branson

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

With the exponential increase in online scientific literature, identifying reliable domain-specific data has become increasingly important but also very challenging. Manual data collection and filtering for domain-specific scientific…

Information Retrieval · Computer Science 2026-03-10 Nikita Gautam , Doina Caragea , Ignacio Ciampitti , Federico Gomez

Large Language Models (LLMs) like ChatGPT and GPT-4 are versatile and capable of addressing a diverse range of tasks. However, general LLMs, which are developed on open-domain data, may lack the domain-specific knowledge essential for tasks…

Computation and Language · Computer Science 2024-03-28 Haitao Li , Qingyao Ai , Jia Chen , Qian Dong , Zhijing Wu , Yiqun Liu , Chong Chen , Qi Tian

The adoption of machine learning (ML) and deep learning methods has revolutionized molecular medicine by driving breakthroughs in genomics, transcriptomics, drug discovery, and biological systems modeling. The increasing quantity,…

The rapid evolution of large language models (LLMs) has expanded their capabilities from basic dialogue to advanced scientific reasoning. However, existing benchmarks in biology often fail to assess a critical skill required of researchers:…

Artificial Intelligence · Computer Science 2026-02-06 Junting Zhou , Jin Chen , Linfeng Hao , Denghui Cao , Zheyu Wang , Qiguang Chen , Chaoyou Fu , Jiaze Chen , Yuchen Wu , Ge Zhang , Mingxuan Wang , Wenhao Huang , Tong Yang

Motivation: Developing high-performing bioinformatics models typically requires repeated cycles of hypothesis formulation, architectural redesign, and empirical validation, making progress slow, labor-intensive, and difficult to reproduce.…

Multiagent Systems · Computer Science 2026-01-22 Sunghyun Kim , Seokwoo Yun , Youngseo Yun , Youngrak Lee , Sangsoo Lim

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

Causal discovery is an imperative foundation for decision-making across domains, such as smart health, AI for drug discovery and AIOps. Traditional statistical causal discovery methods, while well-established, predominantly rely on…

Machine Learning · Computer Science 2025-06-03 ChengAo Shen , Zhengzhang Chen , Dongsheng Luo , Dongkuan Xu , Haifeng Chen , Jingchao Ni

Language model (LM) agents are increasingly used as autonomous decision-makers which need to actively gather information to guide their decisions. A crucial cognitive skill for such agents is the efficient exploration and understanding of…

Artificial Intelligence · Computer Science 2025-10-07 Anthony GX-Chen , Dongyan Lin , Mandana Samiei , Doina Precup , Blake A. Richards , Rob Fergus , Kenneth Marino

Data science plays a critical role in biomedical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing…

Artificial Intelligence · Computer Science 2025-04-10 Zifeng Wang , Benjamin Danek , Ziwei Yang , Zheng Chen , Jimeng Sun

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Agentic search such as Deep Research systems-where agents autonomously browse the web, synthesize information, and return comprehensive citation-backed answers-represents a major shift in how users interact with web-scale information. While…

Evaluating large language models (LLM) in clinical scenarios is crucial to assessing their potential clinical utility. Existing benchmarks rely heavily on static question-answering, which does not accurately depict the complex, sequential…

Human-Computer Interaction · Computer Science 2025-05-27 Samuel Schmidgall , Rojin Ziaei , Carl Harris , Eduardo Reis , Jeffrey Jopling , Michael Moor
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