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Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Large Language Models (LLMs) have emerged as transformative tools in the healthcare sector, demonstrating remarkable capabilities in natural language understanding and generation. However, their proficiency in numerical reasoning,…

Artificial Intelligence · Computer Science 2025-01-27 Arjun R. Malghan

We propose cognitive prompting as a novel approach to guide problem-solving in large language models (LLMs) through structured, human-like cognitive operations, such as goal clarification, decomposition, filtering, abstraction, and pattern…

Computation and Language · Computer Science 2024-12-03 Oliver Kramer , Jill Baumann

Large language models (LLMs) can perform reasoning computations both internally within their latent space and externally by generating explicit token sequences like chains of thought. Significant progress in enhancing reasoning abilities…

Computation and Language · Computer Science 2025-04-16 Thilo Hagendorff , Sarah Fabi

Large Language Models (LLMs) have demonstrated good performance in many reasoning tasks, but they still struggle with some complicated reasoning tasks including logical reasoning. One non-negligible reason for LLMs' suboptimal performance…

Computation and Language · Computer Science 2024-04-09 Yanda Li , Dixuan Wang , Jiaqing Liang , Guochao Jiang , Qianyu He , Yanghua Xiao , Deqing Yang

A common approach for teaching large language models (LLMs) to reason is to train on chain-of-thought (CoT) traces of in-distribution reasoning problems, but such annotated data is costly to obtain for every problem of interest. We want…

Computation and Language · Computer Science 2025-05-29 Fangcong Yin , Zeyu Leo Liu , Liu Leqi , Xi Ye , Greg Durrett

Large language models (LLMs) have demonstrated strong reasoning and tool-use capabilities, yet they often fail in real-world tool-interactions due to incorrect parameterization, poor tool selection, or misinterpretation of user intent.…

Artificial Intelligence · Computer Science 2025-09-23 Hy Dang , Tianyi Liu , Zhuofeng Wu , Jingfeng Yang , Haoming Jiang , Tao Yang , Pei Chen , Zhengyang Wang , Helen Wang , Huasheng Li , Bing Yin , Meng Jiang

In this paper, we study how to improve the zero-shot reasoning ability of large language models~(LLMs) over structured data in a unified way. Inspired by the study on tool augmentation for LLMs, we develop an \emph{Iterative…

Computation and Language · Computer Science 2023-10-24 Jinhao Jiang , Kun Zhou , Zican Dong , Keming Ye , Wayne Xin Zhao , Ji-Rong Wen

Large Language Models (LLMs) have revolutionized the field of Natural Language Processing thanks to their ability to reuse knowledge acquired on massive text corpora on a wide variety of downstream tasks, with minimal (if any) tuning steps.…

Computation and Language · Computer Science 2024-07-12 Flavio Petruzzellis , Alberto Testolin , Alessandro Sperduti

Large language models (LLMs) have demonstrated strong performance in general-purpose machine translation, but their effectiveness in complex, domain-sensitive translation tasks remains underexplored. Recent advancements in Large Reasoning…

Computation and Language · Computer Science 2025-05-27 Yongshi Ye , Biao Fu , Chongxuan Huang , Yidong Chen , Xiaodong Shi

This study is a pioneering endeavor to investigate the capabilities of Large Language Models (LLMs) in addressing conceptual questions within the domain of mechanical engineering with a focus on mechanics. Our examination involves a…

Computation and Language · Computer Science 2024-01-25 Jie Tian , Jixin Hou , Zihao Wu , Peng Shu , Zhengliang Liu , Yujie Xiang , Beikang Gu , Nicholas Filla , Yiwei Li , Ning Liu , Xianyan Chen , Keke Tang , Tianming Liu , Xianqiao Wang

We present Team asdfo123's submission to the LLMSR@XLLM25 shared task, which evaluates large language models on producing fine-grained, controllable, and interpretable reasoning processes. Systems must extract all problem conditions,…

Computation and Language · Computer Science 2025-05-20 Xinye Li , Mingqi Wan , Dianbo Sui

Scientific reasoning, the process through which humans apply logic, evidence, and critical thinking to explore and interpret scientific phenomena, is essential in advancing knowledge reasoning across diverse fields. However, despite…

Computation and Language · Computer Science 2026-04-21 Yibo Yan , Shen Wang , Jiahao Huo , Jingheng Ye , Zhendong Chu , Xuming Hu , Philip S. Yu , Carla Gomes , Bart Selman , Qingsong Wen

This paper investigates the mathematical reasoning capabilities of large language models (LLMs) using 50 newly constructed high-school-level word problems. Unlike prior studies that focus solely on answer correctness, we rigorously analyze…

Artificial Intelligence · Computer Science 2025-02-24 Johan Boye , Birger Moell

Structured, procedural reasoning is essential for Large Language Models (LLMs), especially in mathematics. While post-training methods have improved LLM performance, they still fall short in capturing deep procedural logic on complex tasks.…

Artificial Intelligence · Computer Science 2025-08-27 Zhichao Yang , Zhaoxin Fan , Gen Li , Yuanze Hu , Xinyu Wang , Ye Qiu , Xin Wang , Yifan Sun , Wenjun Wu

Large language models (LLMs) demonstrate impressive capabilities in mathematical reasoning. However, despite these achievements, current evaluations are mostly limited to specific mathematical topics, and it remains unclear whether LLMs are…

Computation and Language · Computer Science 2025-04-01 Arash Gholami Davoodi , Seyed Pouyan Mousavi Davoudi , Pouya Pezeshkpour

In robotics, the use of Large Language Models (LLMs) is becoming prevalent, especially for understanding human commands. In particular, LLMs are utilized as domain-agnostic task planners for high-level human commands. LLMs are capable of…

Robotics · Computer Science 2024-04-08 Gawon Choi , Hyemin Ahn

Recently, with the chain of thought (CoT) prompting, large language models (LLMs), e.g., GPT-3, have shown strong reasoning ability in several natural language processing tasks such as arithmetic, commonsense, and logical reasoning.…

Artificial Intelligence · Computer Science 2023-10-20 Yixuan Weng , Minjun Zhu , Fei Xia , Bin Li , Shizhu He , Shengping Liu , Bin Sun , Kang Liu , Jun Zhao

Chain-of-thought emerges as a promising technique for eliciting reasoning capabilities from Large Language Models (LLMs). However, it does not always improve task performance or accurately represent reasoning processes, leaving unresolved…

Computation and Language · Computer Science 2024-12-13 Guangsheng Bao , Hongbo Zhang , Cunxiang Wang , Linyi Yang , Yue Zhang
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