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Large language models (LLMs) typically enhance their performance through either the retrieval of semantically similar information or the improvement of their reasoning capabilities. However, a significant challenge remains in effectively…

Artificial Intelligence · Computer Science 2026-01-05 Shuqi Liu , Bowei He , Chen Ma , Linqi Song

Large language models (LLMs) demonstrate impressive language understanding and contextual learning abilities, making them suitable for natural language processing (NLP) tasks and complex mathematical reasoning. However, when applied to…

Artificial Intelligence · Computer Science 2023-09-13 Haotian Xu

Large language models (LLMs) have demonstrated their remarkable capacity across a variety of tasks. However, reasoning remains a challenge for LLMs. To improve LLMs' reasoning ability, process supervision has proven to be better than…

Artificial Intelligence · Computer Science 2025-01-06 Shuangtao Li , Shuaihao Dong , Kexin Luan , Xinhan Di , Chaofan Ding

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

This study explores how to enhance the reasoning capabilities of large language models (LLMs) in knowledge base question answering (KBQA) by leveraging Monte Carlo Tree Search (MCTS). Semantic parsing-based KBQA methods are particularly…

Computation and Language · Computer Science 2025-02-20 Guanming Xiong , Haochen Li , Wen Zhao

Despite recent advances in large language models, open-source models often struggle to consistently perform well on complex reasoning tasks. Existing ensemble methods, whether applied at the token or output levels, fail to address these…

Computation and Language · Computer Science 2024-12-23 Sungjin Park , Xiao Liu , Yeyun Gong , Edward Choi

This paper introduces the Constrained Monte Carlo Tree Search (CMCTS) framework to enhance the mathematical reasoning capabilities of Large Language Models (LLM). By incorporating a constrained action space, Process Reward Model (PRM), and…

Computation and Language · Computer Science 2025-06-17 Qingwen Lin , Boyan Xu , Guimin Hu , Zijian Li , Zhifeng Hao , Keli Zhang , Ruichu Cai

Large language models (LLMs) are becoming increasingly applied beyond natural language processing, demonstrating strong capabilities in complex scientific tasks that traditionally require human expertise. This progress has extended into…

Materials Science · Physics 2026-02-26 Dong Hyeon Mok , Seoin Back , Victor Fung , Guoxiang Hu

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work…

Computation and Language · Computer Science 2026-01-26 Zujie Liang , Feng Wei , Wujiang Xu , Lin Chen , Yuxi Qian , Xinhui Wu

Tree-search-based reasoning methods have significantly enhanced the reasoning capability of large language models (LLMs) by facilitating the exploration of multiple intermediate reasoning steps, i.e., thoughts. However, these methods suffer…

Computation and Language · Computer Science 2025-05-27 Zhihai Wang , Jie Wang , Jilai Pan , Xilin Xia , Huiling Zhen , Mingxuan Yuan , Jianye Hao , Feng Wu

Large language models (LLMs) often struggle with complex reasoning tasks due to their limitations in addressing the vast reasoning space and inherent ambiguities of natural language. We propose the Mixture-of-Search-Agents (MoSA) paradigm,…

Artificial Intelligence · Computer Science 2025-02-27 Sen Yang , Yafu Li , Wai Lam , Yu Cheng

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte…

Artificial Intelligence · Computer Science 2024-06-19 Yuxi Xie , Anirudh Goyal , Wenyue Zheng , Min-Yen Kan , Timothy P. Lillicrap , Kenji Kawaguchi , Michael Shieh

The emergence of large language models offers new possibilities for structured exploration of scientific knowledge. Rather than viewing scientific discovery as isolated ideas or content, we propose a structured approach that emphasizes the…

Artificial Intelligence · Computer Science 2025-04-15 Junlan Chen , Kexin Zhang , Daifeng Li , Yangyang Feng , Yuxuan Zhang , Bowen Deng

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical…

Computation and Language · Computer Science 2025-03-20 Shuguang Chen , Guang Lin

Large language models (LLMs) are capable of answering knowledge-intensive complex questions with chain-of-thought (CoT) reasoning. However, they tend to generate factually incorrect reasoning steps when the required knowledge is not…

Computation and Language · Computer Science 2023-11-27 Shulin Cao , Jiajie Zhang , Jiaxin Shi , Xin Lv , Zijun Yao , Qi Tian , Juanzi Li , Lei Hou

This paper investigates the utilization of Large Language Models (LLMs) for solving complex linguistic puzzles, a domain requiring advanced reasoning and adept translation capabilities akin to human cognitive processes. We explore specific…

Computation and Language · Computer Science 2025-02-04 Zheng-Lin Lin , Yu-Fei Shih , Shu-Kai Hsieh

In response to the lack of trust in Artificial Intelligence (AI) for sequential planning, we design a Computational Tree Logic-guided large language model (LLM)-based natural language explanation framework designed for the Monte Carlo Tree…

Artificial Intelligence · Computer Science 2025-05-02 Ziyan An , Xia Wang , Hendrik Baier , Zirong Chen , Abhishek Dubey , Taylor T. Johnson , Jonathan Sprinkle , Ayan Mukhopadhyay , Meiyi Ma

Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Computation and Language · Computer Science 2024-02-12 Siru Ouyang , Zhuosheng Zhang , Bing Yan , Xuan Liu , Yejin Choi , Jiawei Han , Lianhui Qin

Large language models (LLMs) have recently shown remarkable performance in language tasks and beyond. However, due to their limited inherent causal reasoning ability, LLMs still face challenges in handling tasks that require robust causal…

Computation and Language · Computer Science 2025-03-13 Xin Li , Zhuo Cai , Shoujin Wang , Kun Yu , Fang Chen

Recent research in vision-language models (VLMs) has centered around the possibility of equipping them with implicit long-form chain-of-thought reasoning -- akin to the success observed in language models -- via distillation and…

Computer Vision and Pattern Recognition · Computer Science 2025-06-11 David Acuna , Ximing Lu , Jaehun Jung , Hyunwoo Kim , Amlan Kar , Sanja Fidler , Yejin Choi
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