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Large Language Models (LLMs) have demonstrated remarkable capabilities in various reasoning and generation tasks. However, their proficiency in complex causal reasoning, discovery, and estimation remains an area of active development, often…

Artificial Intelligence · Computer Science 2025-09-03 Adib Bazgir , Amir Habibdoust , Yuwen Zhang , Xing Song

Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software,…

Biomolecules · Quantitative Biology 2026-03-03 Qihua Pan , Dong Xu , Qianwei Yang , Jenna Xinyi Yao , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

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,…

Addressing the disparity between forecasts and actual results can enable individuals to expand their thought processes and stimulate self-reflection, thus promoting accurate planning. In this research, we present **PreAct**, an agent…

Computation and Language · Computer Science 2024-12-06 Dayuan Fu , Jianzhao Huang , Siyuan Lu , Guanting Dong , Yejie Wang , Keqing He , Weiran Xu

In this work, we investigate the potential of large language models (LLMs) based agents to automate data science tasks, with the goal of comprehending task requirements, then building and training the best-fit machine learning models.…

Machine Learning · Computer Science 2024-05-29 Siyuan Guo , Cheng Deng , Ying Wen , Hechang Chen , Yi Chang , Jun Wang

The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Human communication is a complex and diverse process that not only involves multiple factors such as language, commonsense, and cultural backgrounds but also requires the participation of multimodal information, such as speech. Large…

Computation and Language · Computer Science 2024-01-09 Dong Zhang , Zhaowei Li , Pengyu Wang , Xin Zhang , Yaqian Zhou , Xipeng Qiu

This article explores the dynamic influence of computational entities based on multi-agent systems theory (SMA) combined with large language models (LLM), which are characterized by their ability to simulate complex human interactions, as a…

Artificial Intelligence · Computer Science 2024-03-18 Carlos Jose Xavier Cruz

Online health resources and large language models (LLMs) are increasingly used as a first point of contact for medical decision-making, yet their reliability in healthcare remains limited by low accuracy, lack of transparency, and…

Artificial Intelligence · Computer Science 2026-04-22 Yujia Liu , Sophia Yu , Hongyue Jin , Jessica Wen , Alexander Qian , Terrence Lee , Mattheus Ramsis , Gi Won Choi , Lianhui Qin , Xin Liu , Edward J. Wang

Emerging 6G networks rely on complex cross-layer optimization, yet manually translating high-level intents into mathematical formulations remains a bottleneck. While Large Language Models (LLMs) offer promise, monolithic approaches often…

Artificial Intelligence · Computer Science 2026-01-28 Haoyun Li , Ming Xiao , Kezhi Wang , Robert Schober , Dong In Kim , Yong Liang Guan

Most multi-agent systems rely exclusively on autoregressive language models (ARMs) that are based on sequential generation. Although effective for fluent text, ARMs limit global reasoning and plan revision. On the other hand, Discrete…

Machine Learning · Computer Science 2026-03-11 Lina Berrayana , Ahmed Heakl , Abdullah Sohail , Thomas Hofmann , Salman Khan , Wei Chen

Autonomous Driving Systems (ADSs) are revolutionizing transportation by reducing human intervention, improving operational efficiency, and enhancing safety. Large Language Models (LLMs) have been integrated into ADSs to support high-level…

Multiagent Systems · Computer Science 2025-10-15 Yaozu Wu , Dongyuan Li , Yankai Chen , Renhe Jiang , Henry Peng Zou , Wei-Chieh Huang , Yangning Li , Liancheng Fang , Zhen Wang , Philip S. Yu

Drug-target interaction (DTI) prediction plays a crucial role in drug discovery, and deep learning approaches have achieved state-of-the-art performance in this field. We introduce an ensemble of deep learning models (EnsembleDLM) for DTI…

Biomolecules · Quantitative Biology 2022-01-19 Po-Yu Kao , Shu-Min Kao , Nan-Lan Huang , Yen-Chu Lin

Therapeutic decision-making in clinical medicine constitutes a high-stakes domain in which AI guidance interacts with complex interactions among patient characteristics, disease processes, and pharmacological agents. Tasks such as drug…

Artificial Intelligence · Computer Science 2025-12-15 Tim Cofala , Christian Kalfar , Jingge Xiao , Johanna Schrader , Michelle Tang , Wolfgang Nejdl

Recent advancements in LLMs indicate potential for novel applications, as evidenced by the reasoning capabilities in the latest OpenAI and DeepSeek models. To apply these models to domain-specific applications beyond text generation,…

Cryptography and Security · Computer Science 2025-07-22 Felix Härer

Large language models (LLMs) face challenges in solving complex mathematical problems that require comprehensive capacities to parse the statements, associate domain knowledge, perform compound logical reasoning, and integrate the…

Artificial Intelligence · Computer Science 2023-12-19 Haoran Liao , Qinyi Du , Shaohua Hu , Hao He , Yanyan Xu , Jidong Tian , Yaohui Jin

As Large Language Models (LLMs) have become integral to both research and daily operations, rigorous evaluation is crucial. This assessment is important not only for individual tasks but also for understanding their societal impact and…

Software Engineering · Computer Science 2024-04-02 Zeeshan Rasheed , Muhammad Waseem , Kari Systä , Pekka Abrahamsson

Large Language Models (LLMs) demonstrate strong performance but often lack interpretable reasoning. This paper introduces the Multi-Agent Collaboration Framework for Diverse Thinking Modes (DiMo), which enhances both performance and…

Computation and Language · Computer Science 2025-10-21 Zhixuan He , Yue Feng

The field of artificial intelligence (AI) agents is evolving rapidly, driven by the capabilities of Large Language Models (LLMs) to autonomously perform and refine tasks with human-like efficiency and adaptability. In this context,…

Statistical Finance · Quantitative Finance 2025-08-18 Tianjiao Zhao , Jingrao Lyu , Stokes Jones , Harrison Garber , Stefano Pasquali , Dhagash Mehta

The rise of Agent AI and Large Language Model-powered Multi-Agent Systems (LLM-MAS) has underscored the need for responsible and dependable system operation. Tools like LangChain and Retrieval-Augmented Generation have expanded LLM…

Multiagent Systems · Computer Science 2025-02-05 Jinwei Hu , Yi Dong , Shuang Ao , Zhuoyun Li , Boxuan Wang , Lokesh Singh , Guangliang Cheng , Sarvapali D. Ramchurn , Xiaowei Huang