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AI-for-Science (AI4Science) is increasingly transforming scientific discovery by embedding machine learning models into prediction, simulation, and hypothesis generation workflows across domains. However, the effectiveness of these models…

Artificial Intelligence · Computer Science 2026-05-29 Dianyu Liu , Chuan Qin , Xi Chen , Xiaohan Li , Wenxi Xu , Yuyang Wang , Xin Chen , Yuanchun Zhou , Hengshu Zhu

Large language models (LLMs) have demonstrated transformative potential in scientific research, yet their deployment in high-stakes contexts raises significant trustworthiness concerns. Here, we introduce SciTrust 2.0, a comprehensive…

Artificial Intelligence · Computer Science 2025-10-31 Emily Herron , Junqi Yin , Feiyi Wang

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental…

Advancements in Large Language Models (LLMs) drive interest in scientific applications, necessitating specialized benchmarks such as Earth science. Existing benchmarks either present a general science focus devoid of Earth science…

Computation and Language · Computer Science 2025-06-02 Wanghan Xu , Xiangyu Zhao , Yuhao Zhou , Xiaoyu Yue , Ben Fei , Fenghua Ling , Wenlong Zhang , Lei Bai

Large language models (LLMs) have shown growing promise in biomedical research, particularly for knowledge-driven interpretation tasks. However, their ability to reliably reason from gene-level knowledge to functional understanding, a core…

Genomics · Quantitative Biology 2026-05-25 Xiaohan Huang , Meng Xiao , Chuan Qin , Qingqing Long , Jinmiao Chen , Yuanchun Zhou , Hengshu Zhu

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. An emerging ecosystem of models and tools aims to support researchers throughout the scientific lifecycle,…

While AI for Science (AI4S) serves as an analytical tool in the current research paradigm, it doesn't solve its core inefficiency. We propose "Agent for Science" (Agent4S)-the use of LLM-driven agents to automate the entire research…

Artificial Intelligence · Computer Science 2025-07-01 Boyuan Zheng , Zerui Fang , Zhe Xu , Rui Wang , Yiwen Chen , Cunshi Wang , Mengwei Qu , Lei Lei , Zhen Feng , Yan Liu , Yuyang Li , Mingzhou Tan , Jiaji Wu , Jianwei Shuai , Jia Li , Fangfu Ye

Can AI systems trained on the scientific record up to a fixed point in time forecast the scientific advances that follow? Such a capability could help researchers identify collaborators and impactful research directions, and anticipate…

Large language models (LLMs) are playing an increasingly important role in scientific research, yet there remains a lack of comprehensive benchmarks to evaluate the breadth and depth of scientific knowledge embedded in these models. To…

Computation and Language · Computer Science 2025-10-08 Kehua Feng , Xinyi Shen , Weijie Wang , Xiang Zhuang , Yuqi Tang , Qiang Zhang , Keyan Ding

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…

Large language models (LLMs) are increasingly used in scientific research and discovery, supporting tasks ranging from literature retrieval and synthesis to hypothesis generation, autonomous experimentation, and research evaluation.…

Digital Libraries · Computer Science 2026-05-13 Haoxuan Zhang , Ruochi Li , Yang Zhang , Ting Xiao , Jiangping Chen , Junhua Ding , Haihua Chen

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific…

Artificial Intelligence · Computer Science 2025-05-27 Jiabin Tang , Lianghao Xia , Zhonghang Li , Chao Huang

In response to the growing complexity and volume of scientific literature, this paper introduces the LLMs4Synthesis framework, designed to enhance the capabilities of Large Language Models (LLMs) in generating high-quality scientific…

Computation and Language · Computer Science 2024-09-30 Hamed Babaei Giglou , Jennifer D'Souza , Sören Auer

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Recent breakthroughs in Large Language Models (LLMs) have revolutionized scientific literature analysis. However, existing benchmarks fail to adequately evaluate the proficiency of LLMs in this domain, particularly in scenarios requiring…

As Large Language Models (LLMs) rise in popularity, it is necessary to assess their capability in critically relevant domains. We present a comprehensive evaluation framework, grounded in science communication research, to assess LLM…

Trust and interpretability are crucial for the use of Artificial Intelligence (AI) in scientific research, but current models often operate as black boxes offering limited transparency and justifications for their outputs. We introduce…

Large Language Models (LLMs) have shown impressive capabilities in contextual understanding and reasoning. However, evaluating their performance across diverse scientific domains remains underexplored, as existing benchmarks primarily focus…

Computation and Language · Computer Science 2025-05-22 Jing Yu , Yuqi Tang , Kehua Feng , Mingyang Rao , Lei Liang , Zhiqiang Zhang , Mengshu Sun , Wen Zhang , Qiang Zhang , Keyan Ding , Huajun Chen

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

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