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Recent advances in the intrinsic reasoning capabilities of large language models (LLMs) have given rise to LLM-based agent systems that exhibit near-human performance on a variety of automated tasks. However, although these systems share…

Artificial Intelligence · Computer Science 2025-08-26 Bingxi Zhao , Lin Geng Foo , Ping Hu , Christian Theobalt , Hossein Rahmani , Jun Liu

As organizations increasingly seek to leverage machine learning (ML) capabilities, the technical complexity of implementing ML solutions creates significant barriers to adoption and impacts operational efficiency. This research examines how…

Human-Computer Interaction · Computer Science 2025-07-09 Jiapeng Yao , Lantian Zhang , Jiping Huang

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

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

Evaluating large language models (LLMs) has recently emerged as a critical issue for safe and trustworthy application of LLMs in the medical domain. Although a variety of static medical question-answering (QA) benchmarks have been proposed,…

Computation and Language · Computer Science 2025-12-12 Gyutaek Oh , Sangjoon Park , Byung-Hoon Kim

Creating end-to-end bioinformatics workflows requires diverse domain expertise, which poses challenges for both junior and senior researchers as it demands a deep understanding of both genomics concepts and computational techniques. While…

The performance of large language models (LLMs) depends on how they are prompted, with choices spanning both the high-level prompting pattern (e.g., Zero-Shot, CoT, ReAct, ReWOO) and the specific prompt content (instructions and few-shot…

Machine Learning · Computer Science 2025-11-05 Claudio Spiess , Mandana Vaziri , Louis Mandel , Martin Hirzel

Computational experiments have emerged as a valuable method for studying complex systems, involving the algorithmization of counterfactuals. However, accurately representing real social systems in Agent-based Modeling (ABM) is challenging…

Artificial Intelligence · Computer Science 2024-02-02 Qun Ma , Xiao Xue , Deyu Zhou , Xiangning Yu , Donghua Liu , Xuwen Zhang , Zihan Zhao , Yifan Shen , Peilin Ji , Juanjuan Li , Gang Wang , Wanpeng Ma

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

Agentic systems are becoming more capable: agents define strategies, take actions, and interact with different environments. This autonomy poses serious challenges for overseeing and assessing agent behavior. Most current tools are limited,…

Computation and Language · Computer Science 2026-05-22 Asaf Yehudai , Lilach Eden , Michal Shmueli-Scheuer

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

The emergence of agentic recommender systems powered by Large Language Models (LLMs) represents a paradigm shift in personalized recommendations, leveraging LLMs' advanced reasoning and role-playing capabilities to enable autonomous,…

Information Retrieval · Computer Science 2025-05-29 Yu Shang , Peijie Liu , Yuwei Yan , Zijing Wu , Leheng Sheng , Yuanqing Yu , Chumeng Jiang , An Zhang , Fengli Xu , Yu Wang , Min Zhang , Yong Li

Large language models (LLMs) have demonstrated notable potential in medical applications, yet they face substantial challenges in handling complex real-world clinical diagnoses using conventional prompting methods. Current prompt…

Artificial Intelligence · Computer Science 2026-03-02 Wenliang Li , Rui Yan , Xu Zhang , Li Chen , Hongji Zhu , Jing Zhao , Junjun Li , Mengru Li , Wei Cao , Zihang Jiang , Wei Wei , Kun Zhang , Shaohua Kevin Zhou

Clinical trials are critical for advancing medical treatments but remain prohibitively expensive and time-consuming. Accurate prediction of clinical trial outcomes can significantly reduce research and development costs and accelerate drug…

Machine Learning · Computer Science 2025-06-06 Fengze Liu , Haoyu Wang , Joonhyuk Cho , Dan Roth , Andrew W. Lo

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

A knowledge gap persists between machine learning (ML) developers (e.g., data scientists) and practitioners (e.g., clinicians), hampering the full utilization of ML for clinical data analysis. We investigated the potential of the ChatGPT…

In the era of data-driven decision-making, the complexity of data analysis necessitates advanced expertise and tools of data science, presenting significant challenges even for specialists. Large Language Models (LLMs) have emerged as…

Artificial Intelligence · Computer Science 2024-02-28 Yuge Zhang , Qiyang Jiang , Xingyu Han , Nan Chen , Yuqing Yang , Kan Ren

Development and homeostasis in multicellular systems both require exquisite control over spatial molecular pattern formation and maintenance. Advances in spatially-resolved and high-throughput molecular imaging methods such as multiplexed…

Quantitative Methods · Quantitative Biology 2023-03-30 Alex J. Lee , Robert Cahill , Reza Abbasi-Asl

Large language models (LLMs) and emerging agentic frameworks are beginning to transform single-cell biology by enabling natural-language reasoning, generative annotation, and multimodal data integration. However, progress remains fragmented…

Computation and Language · Computer Science 2025-11-25 Sajib Acharjee Dip , Adrika Zafor , Bikash Kumar Paul , Uddip Acharjee Shuvo , Muhit Islam Emon , Xuan Wang , Liqing Zhang

Medical Decision-Making (MDM) is a multi-faceted process that requires clinicians to assess complex multi-modal patient data patient, often collaboratively. Large Language Models (LLMs) promise to streamline this process by synthesizing…