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Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

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…

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Artificial Intelligence · Computer Science 2026-05-19 Adeshola Okubena , Yusuf Ali Mohammed , Moe Elbadawi

Autonomous agents powered by large language models (LLMs) perform complex tasks through long-horizon reasoning and tool interaction, where a fundamental trade-off arises between execution efficiency and reasoning robustness. Models at…

Computation and Language · Computer Science 2026-03-30 Wenbo Gao , Renxi Liu , Xian Wang , Fang Guo , Shuai Yang , Xi Chen , Hui-Ling Zhen , Hanting Chen , Weizhe Lin , Xiaosong Li , Yaoyuan Wang

Recent advances in combustion science have led to the generation of large volumes of data from high-fidelity simulations, detailed chemical-kinetic calculations and engine-relevant measurements and create new opportunities for data-driven…

Chemical Physics · Physics 2026-04-29 Amirali Shateri , Zhiyin Yang , Yuying Yan , Manosh C. Paul , Jianfei Xie

Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…

Artificial Intelligence · Computer Science 2024-04-10 Saikat Barua

The integration of experimental technologies with large language models (LLMs) is transforming scientific research. It positions AI as a versatile research assistant rather than a mere problem-solving tool. In the field of power systems,…

Computation and Language · Computer Science 2025-05-20 Mengshuo Jia , Zeyu Cui , Gabriela Hug

Neural theorem proving combines large language models (LLMs) with proof assistants such as Lean, where the correctness of formal proofs can be rigorously verified, leaving no room for hallucination. With existing neural theorem provers…

Artificial Intelligence · Computer Science 2025-05-13 Peiyang Song , Kaiyu Yang , Anima Anandkumar

Current agricultural data management and analysis paradigms are to large extent traditional, in which data collecting, curating, integration, loading, storing, sharing and analyzing still involve too much human effort and know-how. The…

Artificial Intelligence · Computer Science 2024-11-04 Yu Pan , Jianxin Sun , Hongfeng Yu , Joe Luck , Geng Bai , Nipuna Chamara , Yufeng Ge , Tala Awada

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational…

Recent agentic systems demonstrate that large language models can generate scientific visualizations from natural language. However, reliability remains a major limitation: systems may execute invalid operations, introduce subtle but…

Human-Computer Interaction · Computer Science 2026-03-27 Nathaniel Gorski , Shusen Liu , Bei Wang

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Large Language Model (LLM) tools have demonstrated their potential to deliver high-quality assistance by providing instant, personalized feedback that is crucial for effective programming education. However, many of these tools operate…

Human-Computer Interaction · Computer Science 2025-04-08 Huiyong Li , Boxuan Ma

Climate research is pivotal for mitigating global environmental crises, yet the accelerating volume of multi-scale datasets and the complexity of analytical tools have created significant bottlenecks, constraining scientific discovery to…

Artificial Intelligence · Computer Science 2026-04-28 Hao Wang , Jindong Han , Wei Fan , Hao Liu

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains…

Computation and Language · Computer Science 2026-04-28 Nithin Somasekharan , Ling Yue , Yadi Cao , Weichao Li , Patrick Emami , Pochinapeddi Sai Bhargav , Anurag Acharya , Xingyu Xie , Shaowu Pan

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Artificial Intelligence · Computer Science 2025-08-12 Yunkai Hu , Tianqiao Zhao , Meng Yue

Emerging 6G networks rely on complex cross-layer optimization, yet manually translating high-level intents into mathematical formulations remains a bottleneck. While Large Language Models (LLMs) offer promise, monolithic approaches often…

Artificial Intelligence · Computer Science 2026-01-28 Haoyun Li , Ming Xiao , Kezhi Wang , Robert Schober , Dong In Kim , Yong Liang Guan

Large language models (LLMs) have emerged as powerful tools in natural language processing (NLP), showing a promising future of artificial generated intelligence (AGI). Despite their notable performance in the general domain, LLMs have…

Computation and Language · Computer Science 2025-01-23 Jingyuan Chen , Tao Wu , Wei Ji , Fei Wu

Human-level driving is an ultimate goal of autonomous driving. Conventional approaches formulate autonomous driving as a perception-prediction-planning framework, yet their systems do not capitalize on the inherent reasoning ability and…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Jiageng Mao , Junjie Ye , Yuxi Qian , Marco Pavone , Yue Wang

Autonomous agents based on Large Language Models (LLMs) that devise plans and tackle real-world challenges have gained prominence.However, tailoring these agents for specialized domains like quantitative investment remains a formidable…

Artificial Intelligence · Computer Science 2024-02-07 Saizhuo Wang , Hang Yuan , Lionel M. Ni , Jian Guo
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