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We introduce the Concept Bottleneck Large Language Model (CB-LLM), a pioneering approach to creating inherently interpretable Large Language Models (LLMs). Unlike traditional black-box LLMs that rely on post-hoc interpretation methods with…

Computation and Language · Computer Science 2024-07-08 Chung-En Sun , Tuomas Oikarinen , Tsui-Wei Weng

Tool learning has emerged as a promising paradigm for large language models (LLMs) to solve many real-world tasks. Nonetheless, with the tool repository rapidly expanding, it is impractical to contain all tools within the limited input…

Computation and Language · Computer Science 2026-01-22 Luyao Zhuang , Qinggang Zhang , Huachi Zhou , Yujing Zhang , Xiao Huang

Large Language Models (LLMs) have demonstrated remarkable capabilities in solving various tasks, yet they often struggle with comprehensively addressing complex and vague problems. Existing approaches, including multi-agent LLM systems,…

Multiagent Systems · Computer Science 2024-07-11 Sumedh Rasal , E. J. Hauer

Developing compound Large Language Model (LLM) applications is becoming an increasingly prevalent approach to solving real-world problems. In these applications, an LLM collaborates with various external modules, including APIs and even…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-08 Botao Zhu , Chen Chen , Xiaoyi Fan , Yifei Zhu

LLM-based agents have emerged as promising tools, which are crafted to fulfill complex tasks by iterative planning and action. However, these agents are susceptible to undesired planning hallucinations when lacking specific knowledge for…

Computation and Language · Computer Science 2024-06-24 Ruixuan Xiao , Wentao Ma , Ke Wang , Yuchuan Wu , Junbo Zhao , Haobo Wang , Fei Huang , Yongbin Li

Large Language Models (LLMs) are versatile, yet they often falter in tasks requiring deep and reliable reasoning due to issues like hallucinations, limiting their applicability in critical scenarios. This paper introduces a rigorously…

Computation and Language · Computer Science 2023-11-21 Saizhuo Wang , Zhihan Liu , Zhaoran Wang , Jian Guo

The application of Large Language Models (LLMs) in accelerating scientific discovery has garnered increasing attention, with a key focus on constructing research agents endowed with innovative capability, i.e., the ability to autonomously…

Computation and Language · Computer Science 2026-02-24 Tianyu Fan , Fengji Zhang , Yuxiang Zheng , Bei Chen , Xinyao Niu , Chengen Huang , Junyang Lin , Chao Huang

Large language models (LLMs) show promise for tailored healthcare communication but face challenges in interpretability and multi-task integration particularly for domain-specific needs like myopia, and their real-world effectiveness as…

Human-Computer Interaction · Computer Science 2025-07-29 Yue Wu , Xiaolan Chen , Weiyi Zhang , Shunming Liu , Wing Man Rita Sum , Xinyuan Wu , Xianwen Shang , Chea-su Kee , Mingguang He , Danli Shi

In recent years, large-scale language models (LLMs) have gained attention for their impressive text generation capabilities. However, these models often face the challenge of "hallucination," which undermines their reliability. In this…

Computation and Language · Computer Science 2023-10-10 Yuchen Yang , Houqiang Li , Yanfeng Wang , Yu Wang

Autonomous agents based on Large Language Models (LLMs) that devise plans and tackle real-world challenges have gained prominence.However, tailoring these agents for specialized domains like quantitative investment remains a formidable…

Artificial Intelligence · Computer Science 2024-02-07 Saizhuo Wang , Hang Yuan , Lionel M. Ni , Jian Guo

Large Language Models (LLMs) are being increasingly used as synthetic agents in social science, in applications ranging from augmenting survey responses to powering multi-agent simulations. This paper outlines cautions that should be taken…

Artificial Intelligence · Computer Science 2025-10-29 Emma Rose Madden

Large language models (LLMs) are increasingly applied to multi-modal data analysis -- not necessarily because they offer the most precise answers, but because they provide fluent, flexible interfaces for interpreting complex inputs. Yet…

Computation and Language · Computer Science 2025-09-30 Zhengxuan Zhang , Zhuowen Liang , Yin Wu , Teng Lin , Yuyu Luo , Nan Tang

The discovery of novel Ionic Liquids (ILs) is hindered by critical challenges in property prediction, including limited data, poor model accuracy, and fragmented workflows. Leveraging the power of Large Language Models (LLMs), we introduce…

Artificial Intelligence · Computer Science 2025-11-17 Yuqi Yin , Yibo Fu , Siyuan Wang , Peng Sun , Hongyu Wang , Xiaohui Wang , Lei Zheng , Zhiyong Li , Zhirong Liu , Jianji Wang , Zhaoxi Sun

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to…

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language…

This paper presents a novel approach for unified retrieval-augmented generation (RAG) systems using the recent emerging large language model (LLM) agent concept. Specifically, Agent LLM, which utilizes LLM as fundamental controllers, has…

Computation and Language · Computer Science 2025-06-02 Hoang Pham , Thuy-Duong Nguyen , Khac-Hoai Nam Bui

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Large Language Models (LLMs) have shown impressive abilities in natural language understanding and generation, leading to their widespread use in applications such as chatbots and virtual assistants. However, existing LLM frameworks face…

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast…

Artificial Intelligence · Computer Science 2024-09-10 Alireza Ghafarollahi , Markus J. Buehler

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support…

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