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Despite recent advances in large language models (LLMs) for materials science, there is a lack of benchmarks for evaluating their domain-specific knowledge and complex reasoning abilities. To bridge this gap, we introduce MSQA, a…

Artificial Intelligence · Computer Science 2025-06-02 Jerry Junyang Cheung , Shiyao Shen , Yuchen Zhuang , Yinghao Li , Rampi Ramprasad , Chao Zhang

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

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…

Computation and Language · Computer Science 2025-08-15 Nghia Trung Ngo , Franck Dernoncourt , Thien Huu Nguyen

Multimodal large language models (MLLMs) carry the potential to support humans in processing vast amounts of information. While MLLMs are already being used as a fact-checking tool, their abilities and limitations in this regard are…

Computation and Language · Computer Science 2024-04-29 Jiahui Geng , Yova Kementchedjhieva , Preslav Nakov , Iryna Gurevych

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) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

The capacity of Large Language Models (LLMs) to generate valid scientific hypotheses for materials synthesis remains largely unquantified, hindered by the absence of benchmarks probing physicochemical logics reasoning. To address this, we…

Materials Science · Physics 2025-10-01 Yingming Pu , Tao Lin , Hongyu Chen

Mathematical reasoning is a hallmark of human intelligence, and whether large language models (LLMs) can meaningfully perform it remains a central question in artificial intelligence and cognitive science. As LLMs are increasingly…

Computation and Language · Computer Science 2026-04-03 Linyang He , Qiyao Yu , Hanze Dong , Baohao Liao , Xinxing Xu , Micah Goldblum , Jiang Bian , Nima Mesgarani

Large language models (LLMs) have achieved strong performance on medical exam-style tasks, motivating growing interest in their deployment in real-world clinical settings. However, clinical decision-making is inherently safety-critical,…

Computation and Language · Computer Science 2026-04-13 Xiaohan Ren , Chenxiao Fan , Wenyin Ma , Hongliang He , Chongming Gao , Xiaoyan Zhao , Fuli Feng

The advances of large foundation models necessitate wide-coverage, low-cost, and zero-contamination benchmarks. Despite continuous exploration of language model evaluations, comprehensive studies on the evaluation of Large Multi-modal…

Computation and Language · Computer Science 2025-09-19 Kaichen Zhang , Bo Li , Peiyuan Zhang , Fanyi Pu , Joshua Adrian Cahyono , Kairui Hu , Shuai Liu , Yuanhan Zhang , Jingkang Yang , Chunyuan Li , Ziwei Liu

Multilingual Large Language Models (LLMs) exhibit remarkable cross-lingual abilities, yet often exhibit a systematic bias toward the representations from other languages, resulting in semantic interference when generating content in…

Computation and Language · Computer Science 2026-01-21 Ilia Badanin , Daniil Dzenhaliou , Imanol Schlag

We present MaterialFigBench, a benchmark dataset designed to evaluate the ability of multimodal large language models (LLMs) to solve university-level materials science problems that require accurate interpretation of figures. Unlike…

Computation and Language · Computer Science 2026-03-13 Michiko Yoshitake , Yuta Suzuki , Ryo Igarashi , Yoshitaka Ushiku , Keisuke Nagato

Recent advances in Multi-Modal Large Language Models (MLLMs) have enabled unified processing of language, vision, and structured inputs, opening the door to complex tasks such as logical deduction, spatial reasoning, and scientific…

Artificial Intelligence · Computer Science 2025-07-03 Guiyao Tie , Xueyang Zhou , Tianhe Gu , Ruihang Zhang , Chaoran Hu , Sizhe Zhang , Mengqu Sun , Yan Zhang , Pan Zhou , Lichao Sun

In the rapidly evolving field of artificial intelligence, large language models (LLMs) have emerged as powerful tools for a myriad of applications, from natural language processing to decision-making support systems. However, as these…

Computation and Language · Computer Science 2025-07-08 Jianchao Ji , Yutong Chen , Mingyu Jin , Wujiang Xu , Wenyue Hua , Yongfeng Zhang

Strong Artificial Intelligence (Strong AI) or Artificial General Intelligence (AGI) with abstract reasoning ability is the goal of next-generation AI. Recent advancements in Large Language Models (LLMs), along with the emerging field of…

Computation and Language · Computer Science 2024-01-19 Yiqi Wang , Wentao Chen , Xiaotian Han , Xudong Lin , Haiteng Zhao , Yongfei Liu , Bohan Zhai , Jianbo Yuan , Quanzeng You , Hongxia Yang

Multimodal large language models (MLLMs) have emerged as a promising paradigm for dental image analysis. However, their ability to capture the multi-level cognitive processes required for radiographic analysis remains unclear. Here, we…

Computation and Language · Computer Science 2026-05-11 Rongyang Wang , Shuang Zhou , Jiashuo Wang , Wenya Xie , Xiaoxia Che

Reasoning is an essential capacity for large language models (LLMs) to address complex tasks, where the identification of process errors is vital for improving this ability. Recently, process-level reward models (PRMs) were proposed to…

Artificial Intelligence · Computer Science 2025-03-18 Zhaopan Xu , Pengfei Zhou , Jiaxin Ai , Wangbo Zhao , Kai Wang , Xiaojiang Peng , Wenqi Shao , Hongxun Yao , Kaipeng Zhang

Large language models (LLMs) have shown strong performance on mathematical reasoning under well-defined conditions. However, real-world engineering problems involve uncertainty, context, and open-ended settings that extend beyond symbolic…

Artificial Intelligence · Computer Science 2026-05-05 Xiyuan Zhou , Xinlei Wang , Yirui He , Yang Wu , Ruixi Zou , Yuheng Cheng , Yulu Xie , Wenxuan Liu , Huan Zhao , Yan Xu , Jinjin Gu , Junhua Zhao

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

Understanding scientific papers requires more than answering isolated questions or summarizing content. It involves an integrated reasoning process that grounds textual and visual information, interprets experimental evidence, synthesizes…

Information Retrieval · Computer Science 2026-04-29 Yanjun Zhao , Tianxin Wei , Jiaru Zou , Xuying Ning , Yuanchen Bei , Lingjie Chen , Simmi Rana , Wendy H. Yang , Hanghang Tong , Jingrui He
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