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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

Training models to act as agents that can effectively navigate and perform actions in a complex environment, such as a web browser, has typically been challenging due to lack of training data. Large language models (LLMs) have recently…

Vision-Language Models (VLMs) show promise for autonomous driving, yet their struggle with hallucinations, inefficient reasoning, and limited real-world validation hinders accurate perception and robust step-by-step reasoning. To overcome…

As Large Language Models (LLMs) are increasingly deployed in highly specialized vertical domains, the evaluation of their domain-specific performance becomes critical. However, existing evaluations for vertical domains typically rely on the…

Artificial Intelligence · Computer Science 2025-09-26 Wanying Wang , Zeyu Ma , Xuhong Wang , Yangchun Zhang , Pengfei Liu , Mingang Chen

Large Language Model (LLM) agents, which integrate planning, memory, reflection, and tool-use modules, have shown promise in solving complex, multi-step tasks. Yet their sophisticated architectures amplify vulnerability to cascading…

Current evaluation methods for large language models (LLMs) primarily rely on static benchmarks, presenting two major challenges: limited knowledge coverage and fixed difficulties that mismatch with the evaluated LLMs. These limitations…

Computation and Language · Computer Science 2026-01-16 Zhichao Shi , Xuhui Jiang , Chengjin Xu , Cangli Yao , Shengjia Ma , Yinghan Shen , Zixuan Li , Jian Guo , Yuanzhuo Wang

Large Language Models (LLMs) like GPT-4 have revolutionized natural language processing, showing remarkable linguistic proficiency and reasoning capabilities. However, their application in strategic multi-agent decision-making environments…

Computation and Language · Computer Science 2024-05-29 Chuanhao Li , Runhan Yang , Tiankai Li , Milad Bafarassat , Kourosh Sharifi , Dirk Bergemann , Zhuoran Yang

Large Language Model (LLM)-based agents are increasingly employed to automate complex software engineering tasks, such as program repair and issue resolution. These agents operate by autonomously generating natural language thoughts,…

Software Engineering · Computer Science 2025-10-09 Islem Bouzenia , Michael Pradel

Autonomous, goal-driven agents powered by LLMs have recently emerged as promising tools for solving challenging problems without the need for task-specific finetuned models that can be expensive to procure. Currently, the design and…

Language models (LLMs) offer potential as a source of knowledge for agents that need to acquire new task competencies within a performance environment. We describe efforts toward a novel agent capability that can construct cues (or…

Machine Learning · Computer Science 2022-11-22 James R. Kirk , Robert E. Wray , Peter Lindes , John E. Laird

Evaluating AI agents within complex, interactive environments that mirror real-world challenges is critical for understanding their practical capabilities. While existing agent benchmarks effectively assess skills like tool use or…

Artificial Intelligence · Computer Science 2025-08-15 Long Phan , Mantas Mazeika , Andy Zou , Dan Hendrycks

Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online…

Artificial Intelligence · Computer Science 2025-02-18 Zhenfang Chen , Delin Chen , Rui Sun , Wenjun Liu , Chuang Gan

Quantization is pivotal for mitigating the significant memory and computational overhead of Large Language Models (LLMs). While emerging transformation-based methods have successfully enhanced quantization by projecting feature spaces onto…

Computation and Language · Computer Science 2026-03-06 Xiaohao Liu , Xiaobo Xia , Manyi Zhang , Ji-Fu Li , Xianzhi Yu , Fei Shen , Xiu Su , See-Kiong Ng , Tat-Seng Chua

Large Language Model (LLM) agents struggle with long-horizon software engineering tasks due to "Context Bloat." As interaction history grows, computational costs explode, latency increases, and reasoning capabilities degrade due to…

Artificial Intelligence · Computer Science 2026-01-13 Nikhil Verma

Large language models (LLMs) are increasingly used as interactive agents, but optimizing them for long-horizon decision making remains difficult because current methods are largely purely reactive, which weakens both exploration and credit…

Computation and Language · Computer Science 2026-05-08 Xiangyuan Xue , Yifan Zhou , Zidong Wang , Shengji Tang , Philip Torr , Wanli Ouyang , Lei Bai , Zhenfei Yin

While language models (LMs) have shown potential across a range of decision-making tasks, their reliance on simple acting processes limits their broad deployment as autonomous agents. In this paper, we introduce Language Agent Tree Search…

Artificial Intelligence · Computer Science 2024-06-07 Andy Zhou , Kai Yan , Michal Shlapentokh-Rothman , Haohan Wang , Yu-Xiong Wang

Recent research has shown that LLM performance on reasoning tasks can be enhanced by scaling test-time compute. One promising approach, particularly with decomposable problems, involves arranging intermediate solutions as a graph on which…

Artificial Intelligence · Computer Science 2025-03-03 Pedro Gimenes , Zeyu Cao , Jeffrey Wong , Yiren Zhao

Textual data annotation, the process of labeling or tagging text with relevant information, is typically costly, time-consuming, and labor-intensive. While large language models (LLMs) have demonstrated their potential as direct…

Computation and Language · Computer Science 2025-08-12 Yu-Min Tseng , Wei-Lin Chen , Chung-Chi Chen , Hsin-Hsi Chen

With the advancement of web techniques, they have significantly revolutionized various aspects of people's lives. Despite the importance of the web, many tasks performed on it are repetitive and time-consuming, negatively impacting overall…

Artificial Intelligence · Computer Science 2025-08-06 Liangbo Ning , Ziran Liang , Zhuohang Jiang , Haohao Qu , Yujuan Ding , Wenqi Fan , Xiao-yong Wei , Shanru Lin , Hui Liu , Philip S. Yu , Qing Li

With the rapid advancement of post-training techniques for reasoning and information seeking, large language models (LLMs) can incorporate a large quantity of retrieved knowledge to solve complex tasks. However, the limited context window…

Computation and Language · Computer Science 2026-04-21 Zijun Liu , Zhennan Wan , Peng Li , Ming Yan , Fei Huang , Yang Liu