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The advent of Large Language Models (LLMs) has significantly revolutionized web search. The emergence of LLM-based Search Agents marks a pivotal shift towards deeper, dynamic, autonomous information seeking. These agents can comprehend user…

Information Retrieval · Computer Science 2025-08-20 Yunjia Xi , Jianghao Lin , Yongzhao Xiao , Zheli Zhou , Rong Shan , Te Gao , Jiachen Zhu , Weiwen Liu , Yong Yu , Weinan Zhang

The rise of large language models (LLMs) has revolutionized the way that we interact with artificial intelligence systems through natural language. However, LLMs often misinterpret user queries because of their uncertain intention, leading…

Computation and Language · Computer Science 2024-02-07 Jing-Cheng Pang , Heng-Bo Fan , Pengyuan Wang , Jia-Hao Xiao , Nan Tang , Si-Hang Yang , Chengxing Jia , Sheng-Jun Huang , Yang Yu

The rapid growth of Large Language Models (LLMs) has been a driving force in transforming various domains, reshaping the artificial general intelligence landscape. However, the increasing computational and memory demands of these models…

Computation and Language · Computer Science 2024-04-22 Tianyu Ding , Tianyi Chen , Haidong Zhu , Jiachen Jiang , Yiqi Zhong , Jinxin Zhou , Guangzhi Wang , Zhihui Zhu , Ilya Zharkov , Luming Liang

In the wake of relentless digital transformation, data-driven solutions are emerging as powerful tools to address multifarious industrial tasks such as forecasting, anomaly detection, planning, and even complex decision-making. Although…

Artificial Intelligence · Computer Science 2023-10-18 Xu Yang , Xiao Yang , Weiqing Liu , Jinhui Li , Peng Yu , Zeqi Ye , Jiang Bian

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

Computation and Language · Computer Science 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

In recent years, the rapid advancement of Large Language Models (LLMs) has transformed the landscape of scientific research, offering unprecedented support across various stages of the research cycle. This paper presents the first…

Computation and Language · Computer Science 2025-01-09 Ziming Luo , Zonglin Yang , Zexin Xu , Wei Yang , Xinya Du

Recently, tool learning with large language models (LLMs) has emerged as a promising paradigm for augmenting the capabilities of LLMs to tackle highly complex problems. Despite growing attention and rapid advancements in this field, the…

Computation and Language · Computer Science 2024-11-05 Changle Qu , Sunhao Dai , Xiaochi Wei , Hengyi Cai , Shuaiqiang Wang , Dawei Yin , Jun Xu , Ji-Rong Wen

In the rapidly evolving landscape of artificial intelligence (AI), generative large language models (LLMs) stand at the forefront, revolutionizing how we interact with our data. However, the computational intensity and memory consumption of…

Machine Learning · Computer Science 2025-07-24 Xupeng Miao , Gabriele Oliaro , Zhihao Zhang , Xinhao Cheng , Hongyi Jin , Tianqi Chen , Zhihao Jia

This paper presents a study on the integration of domain-specific knowledge in prompt engineering to enhance the performance of large language models (LLMs) in scientific domains. A benchmark dataset is curated to encapsulate the intricate…

Computation and Language · Computer Science 2024-04-24 Hongxuan Liu , Haoyu Yin , Zhiyao Luo , Xiaonan Wang

This comprehensive review delves into the pivotal role of prompt engineering in unleashing the capabilities of Large Language Models (LLMs). The development of Artificial Intelligence (AI), from its inception in the 1950s to the emergence…

Computation and Language · Computer Science 2025-06-18 Banghao Chen , Zhaofeng Zhang , Nicolas Langrené , Shengxin Zhu

Large Language Models (LLMs) offer a promising approach to enhancing Explainable AI (XAI) by transforming complex machine learning outputs into easy-to-understand narratives, making model predictions more accessible to users, and helping…

Artificial Intelligence · Computer Science 2025-04-02 Ahsan Bilal , David Ebert , Beiyu Lin

Collaboration is the defining mode of modern science, yet its core mechanism -- feedback -- remains hard to observe, difficult to scale, and unequally distributed. Here we test whether large language models (LLMs) can contribute to this…

Physics and Society · Physics 2026-05-26 Binglu Wang , Weixin Liang , Jiahui Xue , Yuhui Zhang , Hancheng Cao , Dashun Wang , Yian Yin

Artificial intelligence's (AI) progress holds great promise in tackling pressing societal concerns such as health and climate. Large Language Models (LLM) and the derived chatbots, like ChatGPT, have highly improved the natural language…

Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a…

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

This survey reviews how large language models (LLMs) are transforming synthetic training data generation in both natural language and code domains. By producing artificial but task-relevant examples, these models can significantly augment…

Computation and Language · Computer Science 2025-11-21 Mihai Nadas , Laura Diosan , Andreea Tomescu

Artificial intelligence (AI) raises expectations of substantial increases in rates of technological and scientific progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.…

Computers and Society · Computer Science 2025-11-21 John P. Nelson , Olajide Olugbade , Philip Shapira , Justin B. Biddle

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive approach to a new era dominated by automation and artificial intelligence (AI). This transformative shift is being driven by technological advances, the…

Artificial Intelligence · Computer Science 2023-12-05 Chengchun Liu , Yuntian Chen , Fanyang Mo

Large Language Models (LLMs) are being integrated into professional domains, yet their limitations in such high-stakes fields as law remain poorly understood. In response, this paper introduces examples of critical challenges to the…

Artificial Intelligence · Computer Science 2026-01-27 Eljas Linna , Tuula Linna