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Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Large language models (LLMs), such as ChatGPT, have demonstrated impressive performance in the text generation task, showing the ability to understand and respond to complex instructions. However, the performance of naive LLMs in speciffc…

Computation and Language · Computer Science 2025-12-12 HuangChao Xu , Baohua Zhang , Zhong Jin , Tiannian Zhu , Quansheng Wu , Hongming Weng

Large Language Models (LLMs) have revolutionized human-AI interaction by enabling intuitive task execution through natural language prompts. Despite their potential, designing effective prompts remains a significant challenge, as small…

Software Engineering · Computer Science 2025-04-08 Yuetian Mao , Junjie He , Chunyang Chen

Language is a ubiquitous tool that is foundational to reasoning and collaboration, ranging from everyday interactions to sophisticated problem-solving tasks. The establishment of a common language can serve as a powerful asset in ensuring…

Artificial Intelligence · Computer Science 2025-08-12 Dom Huh , Prasant Mohapatra

Designing proper experiments and selecting optimal intervention targets is a longstanding problem in scientific or causal discovery. Identifying the underlying causal structure from observational data alone is inherently difficult.…

Artificial Intelligence · Computer Science 2025-03-05 Junyi Li , Yongqiang Chen , Chenxi Liu , Qianyi Cai , Tongliang Liu , Bo Han , Kun Zhang , Hui Xiong

Autonomous driving technology, a catalyst for revolutionizing transportation and urban mobility, has the tend to transition from rule-based systems to data-driven strategies. Traditional module-based systems are constrained by cumulative…

Artificial Intelligence · Computer Science 2024-08-13 Zhenjie Yang , Xiaosong Jia , Hongyang Li , Junchi Yan

Designing inorganic crystalline materials with tailored properties is critical to technological innovation, yet current generative computational methods often struggle to efficiently explore desired targets with sufficient interpretability.…

Materials Science · Physics 2025-12-29 Izumi Takahara , Teruyasu Mizoguchi , Bang Liu

Large Language Models (LLMs) excel in handling general knowledge tasks, yet they struggle with user-specific personalization, such as understanding individual emotions, writing styles, and preferences. Personalized Large Language Models…

Artificial Intelligence · Computer Science 2025-09-23 Jiahong Liu , Zexuan Qiu , Zhongyang Li , Quanyu Dai , Wenhao Yu , Jieming Zhu , Minda Hu , Menglin Yang , Tat-Seng Chua , Irwin King

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

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…

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and…

Artificial Intelligence · Computer Science 2023-12-20 Mehrad Ansari , Seyed Mohamad Moosavi

Large language models (LLMs) are increasingly used as automated judges to evaluate recommendation systems, search engines, and other subjective tasks, where relying on human evaluators can be costly, time-consuming, and unscalable. LLMs…

Computation and Language · Computer Science 2025-02-10 Gerrit J. J. van den Burg , Gen Suzuki , Wei Liu , Murat Sensoy

The application of Large Language Models (LLMs) in Computer-Aided Design (CAD) remains an underexplored area, despite their remarkable advancements in other domains. In this paper, we present BlenderLLM, a novel framework for training LLMs…

Human-Computer Interaction · Computer Science 2024-12-20 Yuhao Du , Shunian Chen , Wenbo Zan , Peizhao Li , Mingxuan Wang , Dingjie Song , Bo Li , Yan Hu , Benyou Wang

The advantages of pre-trained large language models (LLMs) are apparent in a variety of language processing tasks. But can a language model's knowledge be further harnessed to effectively disambiguate objects and navigate decision-making…

Robotics · Computer Science 2024-01-09 Connie Jiang , Yiqing Xu , David Hsu

Large Language Models (LLMs) have seen rapid advancements in recent years, with models like ChatGPT and DeepSeek, showcasing their remarkable capabilities across diverse domains. While substantial research has been conducted on LLMs in…

Machine Learning · Computer Science 2026-03-31 Licheng Zhang , Bach Le , Naveed Akhtar , Siew-Kei Lam , Tuan Ngo

Large language models (LLMs) have unlocked new capabilities of task planning from human instructions. However, prior attempts to apply LLMs to real-world robotic tasks are limited by the lack of grounding in the surrounding scene. In this…

Power electronics, a critical component in modern power systems, face several challenges in control design, including model uncertainties, and lengthy and costly design cycles. This paper is aiming to propose a Large Language Models (LLMs)…

Systems and Control · Electrical Eng. & Systems 2024-06-19 Chenggang Cui , Jiaming Liu , Junkang Feng , Peifeng Hui , Amer M. Y. M. Ghias , Chuanlin Zhang

Machine-learning (ML) techniques have revolutionized a host of research fields of chemical and materials science with accelerated, high-efficiency discoveries in design, synthesis, manufacturing, characterization and application of novel…

Materials Science · Physics 2021-08-31 Zhexu Xi

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito