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Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

Machine Learning · Computer Science 2025-09-29 Ziqing Wang , Yibo Wen , William Pattie , Xiao Luo , Weimin Wu , Jerry Yao-Chieh Hu , Abhishek Pandey , Han Liu , Kaize Ding

The integration of AI in education offers significant potential to enhance learning efficiency. Large Language Models (LLMs), such as ChatGPT, Gemini, and Llama, allow students to query a wide range of topics, providing unprecedented…

Information Retrieval · Computer Science 2025-04-29 Zhaoxing Li , Vahid Yazdanpanah , Jindi Wang , Wen Gu , Lei Shi , Alexandra I. Cristea , Sarah Kiden , Sebastian Stein

Recent advancements in large language models (LLMs) have enabled their use as agents for planning complex tasks. Existing methods typically rely on a thought-action-observation (TAO) process to enhance LLM performance, but these approaches…

Artificial Intelligence · Computer Science 2025-04-18 Zheng Wang , Shu Xian Teo , Jun Jie Chew , Wei Shi

Large language models (LLMs) have demonstrated strong capabilities in language understanding and reasoning, yet they remain limited when tackling real-world tasks that require up-to-date knowledge, precise operations, or specialized tool…

Machine Learning · Computer Science 2025-09-17 Yabo Zhang , Yihan Zeng , Qingyun Li , Zhen Hu , Kavin Han , Wangmeng Zuo

Event temporal relation (TempRel) is a primary subject of the event relation extraction task. However, the inherent ambiguity of TempRel increases the difficulty of the task. With the rise of prompt engineering, it is important to design…

Computation and Language · Computer Science 2024-03-25 Xiaobin Zhang , Liangjun Zang , Qianwen Liu , Shuchong Wei , Songlin Hu

Scientific innovation is pivotal for humanity, and harnessing large language models (LLMs) to generate research ideas could transform discovery. However, existing LLMs often produce simplistic and repetitive suggestions due to their limited…

Artificial Intelligence · Computer Science 2024-10-29 Xiang Hu , Hongyu Fu , Jinge Wang , Yifeng Wang , Zhikun Li , Renjun Xu , Yu Lu , Yaochu Jin , Lili Pan , Zhenzhong Lan

Recent advancements in tool learning have enabled large language models (LLMs) to integrate external tools, enhancing their task performance by expanding their knowledge boundaries. However, relying on tools often introduces tradeoffs…

Computation and Language · Computer Science 2025-03-11 Hongshen Xu , Zihan Wang , Zichen Zhu , Lei Pan , Xingyu Chen , Lu Chen , Kai Yu

Large Language Models (LLMs) equipped with external tools have demonstrated enhanced performance on complex reasoning tasks. The widespread adoption of this tool-augmented reasoning is hindered by the scarcity of domain-specific tools. For…

Computation and Language · Computer Science 2025-10-10 Murong Yue , Zhiwei Liu , Liangwei Yang , Jianguo Zhang , Zuxin Liu , Haolin Chen , Ziyu Yao , Silvio Savarese , Caiming Xiong , Shelby Heinecke , Huan Wang

State-of-the-art supervised NLP models achieve high accuracy but are also susceptible to failures on inputs from low-data regimes, such as domains that are not represented in training data. As an approximation to collecting ground-truth…

Computation and Language · Computer Science 2023-06-29 Parikshit Bansal , Amit Sharma

Conducting literature reviews for scientific papers is essential for understanding research, its limitations, and building on existing work. It is a tedious task which makes an automatic literature review generator appealing. Unfortunately,…

Model editing aims to correct outdated or erroneous knowledge in large language models (LLMs) without the need for costly retraining. Lifelong model editing is the most challenging task that caters to the continuous editing requirements of…

Computation and Language · Computer Science 2025-03-17 Qizhou Chen , Taolin Zhang , Xiaofeng He , Dongyang Li , Chengyu Wang , Longtao Huang , Hui Xue

Personalization, the ability to tailor a system to individual users, is an essential factor in user experience with natural language processing (NLP) systems. With the emergence of Large Language Models (LLMs), a key question is how to…

Computation and Language · Computer Science 2023-11-01 Chris Richardson , Yao Zhang , Kellen Gillespie , Sudipta Kar , Arshdeep Singh , Zeynab Raeesy , Omar Zia Khan , Abhinav Sethy

Retrieval and recommendation are two essential tasks in modern search tools. This paper introduces a novel retrieval-reranking framework leveraging Large Language Models (LLMs) to enhance the spatiotemporal and semantic associated mining…

Information Retrieval · Computer Science 2024-11-21 Yuanyuan Tian , Wenwen Li , Lei Hu , Xiao Chen , Michael Brook , Michael Brubaker , Fan Zhang , Anna K. Liljedahl

With the development of large language models (LLMs) in the field of programming, intelligent programming coaching systems have gained widespread attention. However, most research focuses on repairing the buggy code of programming learners…

Artificial Intelligence · Computer Science 2026-01-21 Zhenlong Dai , Zhuoluo Zhao , Hengning Wang , Xiu Tang , Sai Wu , Chang Yao , Zhipeng Gao , Jingyuan Chen

Prompt engineering is pivotal for harnessing the capabilities of large language models (LLMs) across diverse applications. While existing prompt optimization methods improve prompt effectiveness, they often lead to prompt drifting, where…

Computation and Language · Computer Science 2024-10-14 Yurong Wu , Yan Gao , Bin Benjamin Zhu , Zineng Zhou , Xiaodi Sun , Sheng Yang , Jian-Guang Lou , Zhiming Ding , Linjun Yang

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

The functionality of Large Language Model (LLM) agents is primarily determined by two capabilities: action planning and answer summarization. The former, action planning, is the core capability that dictates an agent's performance. However,…

Machine Learning · Computer Science 2025-08-28 Zhiwei Li , Yong Hu , Wenqing Wang

Query reformulation is a well-known problem in Information Retrieval (IR) aimed at enhancing single search successful completion rate by automatically modifying user's input query. Recent methods leverage Large Language Models (LLMs) to…

Information Retrieval · Computer Science 2024-09-18 Wonduk Seo , Haojie Zhang , Yueyang Zhang , Changhao Zhang , Songyao Duan , Lixin Su , Daiting Shi , Jiashu Zhao , Dawei Yin

Retrieve-augmented generation (RAG) frameworks have emerged as a promising solution to multi-hop question answering(QA) tasks since it enables large language models (LLMs) to incorporate external knowledge and mitigate their inherent…

Computation and Language · Computer Science 2024-12-20 Xiangsen Chen , Xuming Hu , Nan Tang

Integrating external tools enables Large Language Models (LLMs) to interact with real-world environments and solve complex tasks. Given the growing scale of available tools, effective tool retrieval is essential to mitigate constraints of…

Information Retrieval · Computer Science 2026-02-06 Yichen Tang , Weihang Su , Yiqun Liu , Qingyao Ai