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The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

Recent progress in large language models (LLMs) has enabled tool-augmented agents capable of solving complex real-world tasks through step-by-step reasoning. However, existing evaluations often focus on general-purpose or multimodal…

Simulated Students offer a valuable methodological framework for evaluating pedagogical approaches and modelling diverse learner profiles, tasks which are otherwise challenging to undertake systematically in real-world settings. Recent…

Computers and Society · Computer Science 2025-11-11 Luis Marquez-Carpintero , Alberto Lopez-Sellers , Miguel Cazorla

In the field of emotion recognition, the development of high-performance models remains a challenge due to the scarcity of high-quality, diverse emotional datasets. Emotional expressions are inherently subjective, shaped by individual…

Computation and Language · Computer Science 2025-09-16 Keito Inoshita , Rushia Harada

The widespread deployment of LLM-based agents is likely to introduce a critical privacy threat: malicious agents that proactively engage others in multi-turn interactions to extract sensitive information. However, the evolving nature of…

Cryptography and Security · Computer Science 2026-05-11 Yanzhe Zhang , Diyi Yang

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 potential of Large Language Model (LLM) as agents has been widely acknowledged recently. Thus, there is an urgent need to quantitatively \textit{evaluate LLMs as agents} on challenging tasks in interactive environments. We present…

With the rapid advancement of Large Language Models (LLMs), significant progress has been made in multi-agent applications. However, the complexities in coordinating agents' cooperation and LLMs' erratic performance pose notable challenges…

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment,…

Digital agents capable of automating complex computer tasks have attracted considerable attention due to their immense potential to enhance human-computer interaction. However, existing agent methods exhibit deficiencies in their…

Artificial Intelligence · Computer Science 2024-10-25 Chengyou Jia , Minnan Luo , Zhuohang Dang , Qiushi Sun , Fangzhi Xu , Junlin Hu , Tianbao Xie , Zhiyong Wu

The exponential growth of scientific literature poses unprecedented challenges for researchers attempting to synthesize knowledge across rapidly evolving fields. We present \textbf{Agentic AutoSurvey}, a multi-agent framework for automated…

Information Retrieval · Computer Science 2025-09-24 Yixin Liu , Yonghui Wu , Denghui Zhang , Lichao Sun

Evaluating recommender systems remains challenging due to the gap between offline metrics and real user behavior, as well as the scarcity of interaction data. Recent work explores large language model (LLM) agents as synthetic users, yet…

Information Retrieval · Computer Science 2026-01-06 Nicolas Bougie , Gian Maria Marconi , Tony Yip , Narimasa Watanabe

We use generative agents powered by large language models (LLMs) to simulate a social network in a shared residential building, driving the temperature decisions for a central heating system. Agents, divided into Family Members and…

Social and Information Networks · Computer Science 2025-07-15 Ann Nedime Nese Rende , Tolga Yilmaz , Özgür Ulusoy

Human mobility anomaly detection based on location is essential in areas such as public health, safety, welfare, and urban planning. Developing models and approaches for location-based anomaly detection requires a comprehensive dataset.…

Social and Information Networks · Computer Science 2024-10-15 Hossein Amiri , Ruochen Kong , Andreas Zufle

Data-driven storytelling is a powerful method for conveying insights by combining narrative techniques with visualizations and text. These stories integrate visual aids, such as highlighted bars and lines in charts, along with textual…

Computation and Language · Computer Science 2024-10-07 Mohammed Saidul Islam , Md Tahmid Rahman Laskar , Md Rizwan Parvez , Enamul Hoque , Shafiq Joty

Legal dispute mediation plays a crucial role in resolving civil disputes, yet its empirical study is limited by privacy constraints and complex multivariate interactions. To address this limitation, we present AgentMediation, the first…

Computers and Society · Computer Science 2025-09-09 Junjie Chen , Haitao Li , Minghao Qin , Yujia Zhou , Yanxue Ren , Wuyue Wang , Yiqun Liu , Yueyue Wu , Qingyao Ai

In e-commerce, behavioral data is collected for decision making which can be costly and slow. Simulation with LLM powered agents is emerging as a promising alternative for representing human population behavior. However, LLMs are known to…

Artificial Intelligence · Computer Science 2025-04-01 Saab Mansour , Leonardo Perelli , Lorenzo Mainetti , George Davidson , Stefano D'Amato

This study introduces a novel approach to simulating legislative processes using LLM-driven virtual agents, focusing on the U.S. Senate Intelligence Committee. We developed agents representing individual senators and placed them in…

Human-Computer Interaction · Computer Science 2024-06-28 Zachary R. Baker , Zarif L. Azher

LLM-based agents have emerged as transformative tools capable of executing complex tasks through iterative planning and action, achieving significant advancements in understanding and addressing user needs. Yet, their effectiveness remains…

Human-Computer Interaction · Computer Science 2025-08-26 Mithat Can Ozgun , Jiahuan Pei , Koen Hindriks , Lucia Donatelli , Qingzhi Liu , Junxiao Wang

Today, E-commerce sellers face several key challenges, including difficulties in discovering and effectively utilizing available programs and tools, and struggling to understand and utilize rich data from various tools. We therefore aim to…

Artificial Intelligence · Computer Science 2026-02-03 Jincheng Bai , Zhenyu Zhang , Jennifer Zhang , Zhihuai Zhu