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Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To…

Machine Learning · Computer Science 2025-06-13 Mengsong Wu , YaFei Wang , Yidong Ming , Yuqi An , Yuwei Wan , Wenliang Chen , Binbin Lin , Yuqiang Li , Tong Xie , Dongzhan Zhou

As multi-modal large language models (MLLMs) frequently exhibit errors when solving scientific problems, evaluating the validity of their reasoning processes is critical for ensuring reliability and uncovering fine-grained model weaknesses.…

Artificial Intelligence · Computer Science 2025-03-11 Jiaxin Ai , Pengfei Zhou , Zhaopan Xu , Ming Li , Fanrui Zhang , Zizhen Li , Jianwen Sun , Yukang Feng , Baojin Huang , Zhongyuan Wang , Kaipeng Zhang

Step-by-step reasoning is widely used to enhance the reasoning ability of large language models (LLMs) in complex problems. Evaluating the quality of reasoning traces is crucial for understanding and improving LLM reasoning. However,…

Computation and Language · Computer Science 2025-09-23 Jinu Lee , Julia Hockenmaier

To advance the evaluation of multimodal math reasoning in large multimodal models (LMMs), this paper introduces a novel benchmark, MM-MATH. MM-MATH consists of 5,929 open-ended middle school math problems with visual contexts, with…

Computation and Language · Computer Science 2024-07-03 Kai Sun , Yushi Bai , Ji Qi , Lei Hou , Juanzi Li

Scientific reasoning inherently demands integrating sophisticated toolkits to navigate domain-specific knowledge. Yet, current benchmarks largely overlook agents' ability to orchestrate tools for such rigorous workflows. To bridge this gap,…

Mathematical reasoning is regarded as a necessary ability for Language Models (LMs). Recent works demonstrate large LMs' impressive performance in solving math problems. The success is attributed to their Chain-of-Thought (CoT) reasoning…

Computation and Language · Computer Science 2023-06-08 Tianduo Wang , Wei Lu

Scientific data visualization plays a crucial role in research by enabling the direct display of complex information and assisting researchers in identifying implicit patterns. Despite its importance, the use of Large Language Models (LLMs)…

Computation and Language · Computer Science 2024-03-20 Zhiyu Yang , Zihan Zhou , Shuo Wang , Xin Cong , Xu Han , Yukun Yan , Zhenghao Liu , Zhixing Tan , Pengyuan Liu , Dong Yu , Zhiyuan Liu , Xiaodong Shi , Maosong Sun

Recent progress in large language models (LLMs) has enabled substantial advances in solving mathematical problems. However, existing benchmarks often fail to reflect the complexity of real-world problems, which demand open-ended,…

Artificial Intelligence · Computer Science 2025-05-22 Cheng Qian , Hongyi Du , Hongru Wang , Xiusi Chen , Yuji Zhang , Avirup Sil , Chengxiang Zhai , Kathleen McKeown , Heng Ji

Agent evaluation requires assessing complex multi-step behaviors involving tool use and intermediate reasoning, making it costly and expertise-intensive. A natural question arises: can frontier coding assistants reliably automate this…

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical…

Artificial Intelligence · Computer Science 2025-05-21 Fan Liu , Zherui Yang , Cancheng Liu , Tianrui Song , Xiaofeng Gao , Hao Liu

Process-level Reward Models (PRMs) are crucial for complex reasoning and decision-making tasks, where each intermediate step plays an important role in the reasoning process. Since language models are prone to various types of errors during…

Computation and Language · Computer Science 2025-07-01 Mingyang Song , Zhaochen Su , Xiaoye Qu , Jiawei Zhou , Yu Cheng

Spreadsheets are ubiquitous across the World Wide Web, playing a critical role in enhancing work efficiency across various domains. Large language model (LLM) has been recently attempted for automatic spreadsheet manipulation but has not…

Artificial Intelligence · Computer Science 2025-03-04 Yibin Chen , Yifu Yuan , Zeyu Zhang , Yan Zheng , Jinyi Liu , Fei Ni , Jianye Hao , Hangyu Mao , Fuzheng Zhang

Highly effective, task-specific prompts are often heavily engineered by experts to integrate detailed instructions and domain insights based on a deep understanding of both instincts of large language models (LLMs) and the intricacies of…

Computation and Language · Computer Science 2023-12-08 Xinyuan Wang , Chenxi Li , Zhen Wang , Fan Bai , Haotian Luo , Jiayou Zhang , Nebojsa Jojic , Eric P. Xing , Zhiting Hu

Large Language Models (LLMs) have been successful in mathematical reasoning tasks such as formal theorem proving when integrated with interactive proof assistants like Lean. Existing approaches involve training or fine-tuning an LLM on a…

Machine Learning · Computer Science 2025-03-07 Adarsh Kumarappan , Mo Tiwari , Peiyang Song , Robert Joseph George , Chaowei Xiao , Anima Anandkumar

Best-of-N decoding methods instruct large language models (LLMs) to generate multiple solutions, score each using a scoring function, and select the highest scored as the final answer to mathematical reasoning problems. However, this…

Computation and Language · Computer Science 2024-10-18 Zhenyu Wu , Qingkai Zeng , Zhihan Zhang , Zhaoxuan Tan , Chao Shen , Meng Jiang

Large Reasoning Models (LRMs) like o3 and DeepSeek-R1 have achieved remarkable progress in reasoning tasks with long cot. However, they remain computationally inefficient and struggle with accuracy when solving problems requiring complex…

Artificial Intelligence · Computer Science 2026-03-03 Haipeng Luo , Huawen Feng , Qingfeng Sun , Can Xu , Kai Zheng , Yufei Wang , Tao Yang , Han Hu , Yansong Tang

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

Mathematical reasoning represents a critical frontier in advancing large language models (LLMs). While step-by-step approaches have emerged as the dominant paradigm for mathematical problem-solving in LLMs, the quality of reasoning steps in…

Computation and Language · Computer Science 2026-02-26 Yuchen Yan , Yongliang Shen , Yang Liu , Jin Jiang , Xin Xu , Mengdi Zhang , Jian Shao , Yueting Zhuang

Large Language Models (LLMs) have revolutionized various domains but encounter substantial challenges in tackling optimization modeling tasks for Operations Research (OR), particularly when dealing with complex problem. In this work, we…

Computation and Language · Computer Science 2025-06-24 Yang Wu , Yifan Zhang , Yurong Wu , Yuran Wang , Junkai Zhang , Jian Cheng

Large Language Models (LLMs) have shown impressive capabilities in downstream software engineering tasks such as Automated Program Repair (APR). In particular, there has been a lot of research on repository-level issue-resolution benchmarks…

Software Engineering · Computer Science 2025-06-23 Anvith Pabba , Alex Mathai , Anindya Chakraborty , Baishakhi Ray