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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,…

计算与语言 · 计算机科学 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

As Large Language Models (LLMs) achieve significant breakthroughs in complex reasoning tasks, evaluating their proficiency in science, technology, engineering, and mathematics (STEM) has become a primary method for measuring machine…

计算与语言 · 计算机科学 2026-02-04 Xuzhao Li , Xuchen Li , Jian Zhao , Shiyu Hu

In this report, we introduce Qwen2.5, a comprehensive series of large language models (LLMs) designed to meet diverse needs. Compared to previous iterations, Qwen 2.5 has been significantly improved during both the pre-training and…

Scientific knowledge discovery increasingly relies on large language models, yet many existing scholarly assistants depend on proprietary systems with tens or hundreds of billions of parameters. Such reliance limits reproducibility and…

信息检索 · 计算机科学 2026-04-23 Florian Kelber , Matthias Jobst , Yuni Susanti , Michael Färber

The paradigm shift in large language models (LLMs) from instinctive responses to chain-of-thought (CoT) reasoning has fueled two prevailing assumptions: (1) reasoning capabilities only emerge in sufficiently large models, and (2) such…

Large language models (LLMs) have demonstrated remarkable progress in understanding long-context inputs. However, benchmarks for evaluating the long-context reasoning abilities of LLMs fall behind the pace. Existing benchmarks often focus…

计算与语言 · 计算机科学 2025-11-19 Zhan Ling , Kang Liu , Kai Yan , Yifan Yang , Weijian Lin , Ting-Han Fan , Lingfeng Shen , Zhengyin Du , Jiecao Chen

Public health reasoning requires population level inference grounded in scientific evidence, expert consensus, and safety constraints. However, it remains underexplored as a structured machine learning problem with limited supervised…

Large language models (LLMs) have demonstrated remarkable proficiency in mainstream academic disciplines such as mathematics, physics, and computer science. However, human knowledge encompasses over 200 specialized disciplines, far…

While Large Language Models (LLMs) achieve near-human performance on standard benchmarks, their capabilities often fail to generalize to complex, real-world problems. To bridge this gap, we introduce DeepQuestion, a scalable, automated…

The advent of large reasoning models, such as OpenAI o1 and DeepSeek R1, has significantly advanced complex reasoning tasks. However, their capabilities in multilingual complex reasoning remain underexplored, with existing efforts largely…

计算与语言 · 计算机科学 2025-05-27 Wenyang Luo , Wayne Xin Zhao , Jing Sha , Shijin Wang , Ji-Rong Wen

Large language models (LLMs) have exhibited great potential in mathematical reasoning. However, there remains a performance gap in this area between existing open-source models and closed-source models such as GPT-4. In this paper, we…

计算与语言 · 计算机科学 2024-09-12 Zimu Lu , Aojun Zhou , Houxing Ren , Ke Wang , Weikang Shi , Junting Pan , Mingjie Zhan , Hongsheng Li

Recent advancements in reasoning-reinforced Large Language Models (LLMs) have shown remarkable capabilities in complex reasoning tasks. However, the mechanism underlying their utilization of different human reasoning skills remains poorly…

计算与语言 · 计算机科学 2025-08-15 Nghia Trung Ngo , Franck Dernoncourt , Thien Huu Nguyen

While Large Language Models (LLMs) are reshaping the paradigm of AI for Social Science (AI4SS), rigorously evaluating their capabilities in scholarly writing remains a major challenge. Existing benchmarks largely emphasize single-shot,…

计算与语言 · 计算机科学 2026-02-18 Houping Yue , Zixiang Di , Mei Jiang , Bingdong Li , Hao Hao , Yu Song , Bo Jiang , Aimin Zhou

Many real-world questions appear deceptively simple yet implicitly demand two capabilities: (i) systematic coverage of a bounded knowledge universe and (ii) compositional set-based reasoning over that universe, a phenomenon we term "the tip…

人工智能 · 计算机科学 2026-04-21 Xiao Zhang , Qianru Meng , Yongjian Chen , Yumeng Wang , Johan Bos

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…

计算与语言 · 计算机科学 2025-10-08 Kehua Feng , Xinyi Shen , Weijie Wang , Xiang Zhuang , Yuqi Tang , Qiang Zhang , Keyan Ding

When answering a question, humans utilize the information available across different modalities to synthesize a consistent and complete chain of thought (CoT). This process is normally a black box in the case of deep learning models like…

计算与语言 · 计算机科学 2022-10-18 Pan Lu , Swaroop Mishra , Tony Xia , Liang Qiu , Kai-Wei Chang , Song-Chun Zhu , Oyvind Tafjord , Peter Clark , Ashwin Kalyan

Recent advances in data science, machine learning, and artificial intelligence, such as the emergence of large language models, are leading to an increasing demand for data that can be processed by such models. While data sources are…

机器学习 · 计算机科学 2023-09-13 Paul Bilokon , Oleksandr Bilokon , Saeed Amen

Data Scientists leverage common sense reasoning and domain knowledge to understand and enrich data for building predictive models. In recent years, we have witnessed a surge in tools and techniques for {\em automated machine learning}.…

人工智能 · 计算机科学 2022-05-18 Udayan Khurana , Kavitha Srinivas , Horst Samulowitz