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Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Large language models (LLMs) with Chain-of-Thought (CoT) prompting achieve strong reasoning but often produce unnecessarily long explanations, increasing cost and sometimes reducing accuracy. Fair comparison of efficiency-oriented…

Computation and Language · Computer Science 2025-11-14 Junquan Huang , Haotian Wu , Yubo Gao , Yibo Yan , Junyan Zhang , Yonghua Hei , Song Dai , Jie Zhang , Puay Siew Tan , Xuming Hu

Medical question answering (QA) benchmarks often focus on multiple-choice or fact-based tasks, leaving open-ended answers to real patient questions underexplored. This gap is particularly critical in mental health, where patient questions…

Computation and Language · Computer Science 2026-05-15 Yahan Li , Jifan Yao , John Bosco S. Bunyi , Adam C. Frank , Angel Hsing-Chi Hwang , Ruishan Liu

As Large Language Models (LLMs) exhibit plateauing performance on conventional benchmarks, a pivotal challenge persists: evaluating their proficiency in complex, open-ended tasks characterizing genuine expert-level cognition. Existing…

We introduce QMBench, a comprehensive benchmark designed to evaluate the capability of large language model agents in quantum materials research. This specialized benchmark assesses the model's ability to apply condensed matter physics…

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

Benchmarks are the de facto standard for tracking progress in large language models (LLMs), yet static test sets can rapidly saturate, become vulnerable to contamination, and are costly to refresh. Scalable evaluation of open-ended items…

Computation and Language · Computer Science 2026-03-24 Yandan Zheng , Haoran Luo , Zhenghong Lin , Wenjin Liu , Luu Anh Tuan

As Large Language Models (LLMs) are increasingly deployed as task-oriented agents in enterprise environments, ensuring their strict adherence to complex, domain-specific operational guidelines is critical. While utilizing an LLM-as-a-Judge…

Computation and Language · Computer Science 2026-04-15 Jingbo Yang , Guanyu Yao , Bairu Hou , Xinghan Yang , Nikolai Glushnev , Iwona Bialynicka-Birula , Duo Ding , Shiyu Chang

Navigating the complexities of physics reasoning has long been a difficult task for Large Language Models (LLMs), requiring a synthesis of profound conceptual understanding and adept problem-solving techniques. In this study, we investigate…

Computation and Language · Computer Science 2025-07-04 Nifu Dan , Yujun Cai , Yiwei Wang

Large language models (LLMs) have become increasingly pivotal across various domains, especially in handling complex data types. This includes structured data processing, as exemplified by ChartQA and ChatGPT-Ada, and multimodal…

Large Language Models (LLMs) have become instrumental across various applications, with the customization of these models to specific scenarios becoming increasingly critical. System message, a fundamental component of LLMs, is consist of…

Computation and Language · Computer Science 2024-10-23 Yanzhao Qin , Tao Zhang , Tao Zhang , Yanjun Shen , Wenjing Luo , Haoze Sun , Yan Zhang , Yujing Qiao , Weipeng Chen , Zenan Zhou , Wentao Zhang , Bin Cui

We present a benchmark for large language models designed to tackle one of the most knowledge-intensive tasks in data science: writing feature engineering code, which requires domain knowledge in addition to a deep understanding of the…

Computation and Language · Computer Science 2024-11-01 Michał Pietruszka , Łukasz Borchmann , Aleksander Jędrosz , Paweł Morawiecki

Structure reasoning is a fundamental capability of large language models (LLMs), enabling them to reason about structured commonsense and answer multi-hop questions. However, existing benchmarks for structure reasoning mainly focus on…

Computation and Language · Computer Science 2025-03-04 Zhuohang Jiang , Pangjing Wu , Ziran Liang , Peter Q. Chen , Xu Yuan , Ye Jia , Jiancheng Tu , Chen Li , Peter H. F. Ng , Qing Li

While large language models (LLMs) promise to revolutionize automated scientific discovery, their application in rigorous real-world physical research is stalled by two critical barriers: a lack of realistic evaluation benchmarks and…

Computational Physics · Physics 2026-05-12 Ken Deng , Xiangfei Wang , Guijing Duan , Chen Mo , Junkun Huang , Runqing Zhang , Ling Qian , Zhiguo Huang , Jize Han , Di Luo

Recent studies on large language models (LLMs) and large multimodal models (LMMs) have demonstrated promising skills in various domains including science and mathematics. However, their capability in more challenging and real-world related…

Computer Vision and Pattern Recognition · Computer Science 2025-02-28 Ming Li , Jike Zhong , Tianle Chen , Yuxiang Lai , Konstantinos Psounis

Large language models (LLMs) have exhibited remarkable capabilities across diverse open-domain tasks, yet their application in specialized domains such as civil engineering remains largely unexplored. This paper starts bridging this gap by…

Computation and Language · Computer Science 2025-07-08 Jiachen Liu , Ziheng Geng , Ran Cao , Lu Cheng , Paolo Bocchini , Minghui Cheng

With the rapid development and widespread application of Large Language Models (LLMs), multidimensional evaluation has become increasingly critical. However, current evaluations are often domain-specific and overly complex, limiting their…

Computation and Language · Computer Science 2025-05-20 Haitao Wu , Zongbo Han , Joey Tianyi Zhou , Huaxi Huang , Changqing Zhang

Current evaluation paradigms for large language models (LLMs) represent a critical blind spot in AI research--relying on opaque numerical metrics that conceal fundamental limitations in spatial reasoning while providing no intuitive…

Computation and Language · Computer Science 2025-11-05 Liuhao Lin , Ke Li , Zihan Xu , Yuchen Shi , Yulei Qin , Yan Zhang , Xing Sun , Rongrong Ji

Geometric spatial reasoning forms the foundation of many applications in artificial intelligence, yet the ability of large language models (LLMs) to operate over geometric spatial information expressed in procedural code remains…

Artificial Intelligence · Computer Science 2026-02-11 Shixian Luo , Zezhou Zhu , Yu Yuan , Yuncheng Yang , Lianlei Shan , Yong Wu