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Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects…

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

Large language model agents are becoming increasingly capable at web-centric tasks such as information retrieval, complex reasoning. These emerging capabilities have given rise to surge research interests in developing LLM agent for…

Computation and Language · Computer Science 2026-04-02 Yu Li , Lehui Li , Lin Chen , Qingmin Liao , Fengli Xu , Yong Li

This paper explores the potential of a multidisciplinary approach to testing and aligning artificial intelligence (AI), specifically focusing on large language models (LLMs). Due to the rapid development and wide application of LLMs,…

Computers and Society · Computer Science 2025-01-07 Ljubisa Bojic , Matteo Cinelli , Dubravko Culibrk , Boris Delibasic

The rapid advancement in capabilities of large language models (LLMs) raises a pivotal question: How can LLMs accelerate scientific discovery? This work tackles the crucial first stage of research, generating novel hypotheses. While recent…

Artificial Intelligence · Computer Science 2025-05-27 Aniketh Garikaparthi , Manasi Patwardhan , Lovekesh Vig , Arman Cohan

Novel research ideas play a critical role in advancing scientific inquiries. Recent advancements in Large Language Models (LLMs) have demonstrated their potential to generate novel research ideas by leveraging large-scale scientific…

Artificial Intelligence · Computer Science 2025-11-05 Keyu Zhao , Weiquan Lin , Qirui Zheng , Fengli Xu , Yong Li

Discovering explicit physical laws has traditionally depended on human intuition and domain expertise. Recent advances in artificial intelligence, particularly large language models (LLMs), offer a new route to accelerate this process by…

Materials Science · Physics 2026-01-30 Bo Hu , Siyu Liu , Beilin Ye , Yun Hao , Yanhui Liu , Yang Lu , Ju Li , David J. Srolovitz , Tongqi Wen

Large language models (LLMs) have created new opportunities to enhance the efficiency of scholarly activities; however, challenges persist in the ethical deployment of AI assistance, including (1) the trustworthiness of AI-generated…

Computation and Language · Computer Science 2026-02-27 Mengze Hong , Di Jiang , Chen Jason Zhang , Zichang Guo , Yawen Li , Jun Chen , Shaobo Cui , Zhiyang Su

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

Human social interactions depend on the ability to infer others' unspoken intentions, emotions, and beliefs-a cognitive skill grounded in the psychological concept of Theory of Mind (ToM). While large language models (LLMs) excel in…

Computation and Language · Computer Science 2025-10-15 Xuanming Zhang , Yuxuan Chen , Samuel Yeh , Sharon Li

Large Language Models (LLMs) are playing an increasingly important role in physics research by assisting with symbolic manipulation, numerical computation, and scientific reasoning. However, ensuring the reliability, transparency, and…

Artificial Intelligence · Computer Science 2025-08-19 Yinggan Xu , Hana Kimlee , Yijia Xiao , Di Luo

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel…

Autonomous AI research agents aim to accelerate scientific discovery by automating the research pipeline, from hypothesis generation to peer review. However, existing benchmarks rarely test a fundamental bottleneck: whether Large Language…

Machine Learning · Computer Science 2026-05-29 Sy-Tuyen Ho , Minghui Liu , Huy Nghiem , Furong Huang

LLM-based reasoning models have enabled the development of agentic systems that act as co-scientists, assisting in multi-step scientific analysis. However, evaluating these systems is challenging, as it requires realistic, end-to-end…

Machine Learning · Computer Science 2026-02-24 Siba Smarak Panigrahi , Jovana Videnović , Maria Brbić

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

Understanding scientific papers requires more than answering isolated questions or summarizing content. It involves an integrated reasoning process that grounds textual and visual information, interprets experimental evidence, synthesizes…

Information Retrieval · Computer Science 2026-04-29 Yanjun Zhao , Tianxin Wei , Jiaru Zou , Xuying Ning , Yuanchen Bei , Lingjie Chen , Simmi Rana , Wendy H. Yang , Hanghang Tong , Jingrui He

This paper investigates the potential of AI models, particularly large language models (LLMs), to support knowledge exploration and augment human creativity during ideation. We present "Latent Lab" an interactive tool for discovering…

Artificial Intelligence · Computer Science 2023-11-23 Kevin Dunnell , Trudy Painter , Andrew Stoddard , Andy Lippman

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Multi-agent reinforcement learning (MARL) methods struggle with the non-stationarity of multi-agent systems and fail to adaptively learn online when tested with novel agents. Here, we leverage large language models (LLMs) to create an…

Artificial Intelligence · Computer Science 2024-12-13 Logan Cross , Violet Xiang , Agam Bhatia , Daniel LK Yamins , Nick Haber

The rapid advancement of large language models (LLMs) has driven the development of agentic systems capable of autonomously performing complex tasks. Despite their impressive capabilities, LLMs remain constrained by their internal knowledge…

Information Retrieval · Computer Science 2025-08-19 Wenlin Zhang , Xiaopeng Li , Yingyi Zhang , Pengyue Jia , Yichao Wang , Huifeng Guo , Yong Liu , Xiangyu Zhao