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The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated…

Materials Science · Physics 2026-04-28 Zhanzhao Li , Kengran Yang , Qiyao He , Kai Gong

Recent advances in large language models (LLMs) have propelled research in natural language interfaces to databases. However, most state-of-the-art text-to-SQL systems still depend on complex, multi-stage pipelines. This work proposes a…

Artificial Intelligence · Computer Science 2025-06-03 Fernando Granado , Roberto Lotufo , Jayr Pereira

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

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

The rapid expansion of enzyme kinetics literature has outpaced the curation capabilities of major biochemical databases, creating a substantial barrier to AI-driven modeling and knowledge discovery. We present zERExtractor, an automated and…

Large Language Models (LLMs) are widely used across various scenarios due to their exceptional reasoning capabilities and natural language understanding. While LLMs demonstrate strong performance in tasks involving mathematics and coding,…

Artificial Intelligence · Computer Science 2025-06-03 Xinyi Liu , Lipeng Ma , Yixuan Li , Weidong Yang , Qingyuan Zhou , Jiayi Song , Shuhao Li , Ben Fei

Large Language Model (LLM) agents have shown great potential for solving real-world problems and promise to be a solution for tasks automation in industry. However, more benchmarks are needed to systematically evaluate automation agents…

Artificial Intelligence · Computer Science 2025-07-16 Yinsheng Li , Zhen Dong , Yi Shao

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

The design of sustainable materials requires access to materials performance and sustainability data from literature corpus in an organized, structured and automated manner. Natural language processing approaches, particularly large…

The knowledge contained in academic literature is interesting to mine. Inspired by the idea of molecular markers tracing in the field of biochemistry, three named entities, namely, methods, datasets and metrics are used as AI markers for AI…

Information Retrieval · Computer Science 2020-11-04 Rujing Yao , Yingchun Ye , Ji Zhang , Shuxiao Li , Ou Wu

The exponential growth of text-based data in domains such as healthcare, education, and social sciences has outpaced the capacity of traditional qualitative analysis methods, which are time-intensive and prone to subjectivity. Large…

Modern process simulators enable detailed process design, simulation, and optimization; however, constructing and interpreting simulations is time-consuming and requires expert knowledge. This limits early exploration by inexperienced…

Chemical Physics · Physics 2026-05-22 Jingkang Liang , Niklas Groll , Gürkan Sin

The pace of scientific research, vital for improving human life, is complex, slow, and needs specialized expertise. Meanwhile, novel, impactful research often stems from both a deep understanding of prior work, and a cross-pollination of…

Computation and Language · Computer Science 2025-02-11 Jinheon Baek , Sujay Kumar Jauhar , Silviu Cucerzan , Sung Ju Hwang

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast…

Artificial Intelligence · Computer Science 2024-01-11 Haojie Pan , Zepeng Zhai , Hao Yuan , Yaojia Lv , Ruiji Fu , Ming Liu , Zhongyuan Wang , Bing Qin

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

The development of chemical processes, a cornerstone of chemical engineering, presents formidable challenges due to its multi-faceted nature, integrating specialized knowledge, conceptual design, and parametric simulation. Capitalizing on…

Artificial Intelligence · Computer Science 2026-03-03 Yuhang Yang , Ruikang Li , Jifei Ma , Kai Zhang , Qi Liu , Jianyu Han , Yonggan Bu , Jibin Zhou , Defu Lian , Xin Li , Enhong Chen

Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to experimental design and data analysis.…

Large Language Models (LLMs) have demonstrated remarkable potential in scientific research, particularly in chemistry-related tasks such as molecular design, reaction prediction, and property estimation. While tool-augmented LLMs have been…

Computational Engineering, Finance, and Science · Computer Science 2025-02-21 Zhucong Li , Jin Xiao , Bowei Zhang , Zhijian Zhou , Qianyu He , Fenglei Cao , Jiaqing Liang , Yuan Qi

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

Large language models (LLMs) have sparked growing interest in machine learning research agents that can autonomously propose ideas and conduct experiments. However, existing benchmarks predominantly adopt an engineering-oriented…

Computation and Language · Computer Science 2026-02-26 Qiran Zou , Hou Hei Lam , Wenhao Zhao , Yiming Tang , Tingting Chen , Samson Yu , Tianyi Zhang , Chang Liu , Xiangyang Ji , Dianbo Liu