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Mathematical reasoning presents significant challenges for large language models (LLMs). To enhance their capabilities, we propose Monte Carlo Self-Refine Tree (MC-NEST), an extension of Monte Carlo Tree Search that integrates LLM-based…

Machine Learning · Computer Science 2025-06-03 Gollam Rabby , Farhana Keya , Sören Auer

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

We introduce MCTS-RAG, a novel approach that enhances the reasoning capabilities of small language models on knowledge-intensive tasks by leveraging retrieval-augmented generation (RAG) to provide relevant context and Monte Carlo Tree…

Computation and Language · Computer Science 2025-10-09 Yunhai Hu , Yilun Zhao , Chen Zhao , Arman Cohan

Monte Carlo Tree Search (MCTS) has emerged as a powerful tool for decision-making in robotics, enabling efficient exploration of large search spaces. However, traditional MCTS methods struggle in environments characterized by high…

Robotics · Computer Science 2025-03-10 Xibai Wang

While Large Language Models (LLMs) have achieved remarkable success in a wide range of applications, their performance often degrades in complex reasoning tasks. In this work, we introduce SELT (Self-Evaluation LLM Tree Search), a novel…

Computation and Language · Computer Science 2025-06-10 Mengsong Wu , Di Zhang , Yuqiang Li , Dongzhan Zhou , Wenliang Chen

Despite their outstanding capabilities, large language models (LLMs) are prone to hallucination and producing factually incorrect information. This challenge has spurred efforts in attributed text generation, which prompts LLMs to generate…

Computation and Language · Computer Science 2025-06-23 Junyi Li , Hwee Tou Ng

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

Instruction tuning is a crucial technique for aligning language models with humans' actual goals in the real world. Extensive research has highlighted the quality of instruction data is essential for the success of this alignment. However,…

Artificial Intelligence · Computer Science 2024-10-15 Chenglin Li , Qianglong Chen , Zhi Li , Feng Tao , Yicheng Li , Hao Chen , Fei Yu , Yin Zhang

Tree search-based methods have made significant progress in enhancing the code generation capabilities of large language models. However, due to the difficulty in effectively evaluating intermediate algorithmic steps and the inability to…

Artificial Intelligence · Computer Science 2025-12-18 Yuanyuan Lin , Xiangyu Ouyang , Teng Zhang , Kaixin Sui

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

This article discusses two contributions to decision-making in complex partially observable stochastic games. First, we apply two state-of-the-art search techniques that use Monte-Carlo sampling to the task of approximating a…

Computer Science and Game Theory · Computer Science 2014-01-21 Marc Ponsen , Steven de Jong , Marc Lanctot

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Yujie Liu , Wei Li , Tong Xie , Lidong Bing , Wanli Ouyang , Erik Cambria , Dongzhan Zhou

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

The goal of protein design is to generate amino acid sequences that fold into functional structures with desired properties. Prior methods combining autoregressive language models with Monte Carlo Tree Search (MCTS) struggle with long-range…

Machine Learning · Computer Science 2026-02-25 Xuefeng Liu , Mingxuan Cao , Songhao Jiang , Xiao Luo , Xiaotian Duan , Mengdi Wang , Tobin R. Sosnick , Jinbo Xu , Rick Stevens

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

Effective decision-making and problem-solving in conversational systems require the ability to identify and acquire missing information through targeted questioning. A key challenge lies in efficiently narrowing down a large space of…

Artificial Intelligence · Computer Science 2025-06-03 Harshita Chopra , Chirag Shah

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel…

Artificial Intelligence · Computer Science 2023-11-07 Henry W. Sprueill , Carl Edwards , Mariefel V. Olarte , Udishnu Sanyal , Heng Ji , Sutanay Choudhury

There is growing interest in hypothesis generation with large language models (LLMs). However, fundamental questions remain: what makes a good hypothesis, and how can we systematically evaluate methods for hypothesis generation? To address…

Artificial Intelligence · Computer Science 2026-02-12 Haokun Liu , Sicong Huang , Jingyu Hu , Yangqiaoyu Zhou , Chenhao Tan

Researchers on artificial intelligence have achieved human-level intelligence in large-scale perfect-information games, but it is still a challenge to achieve (nearly) optimal results (in other words, an approximate Nash Equilibrium) in…

Artificial Intelligence · Computer Science 2019-04-09 Li Zhang , Wei Wang , Shijian Li , Gang Pan

The exponential growth of scientific knowledge has made the automated generation of scientific hypotheses that combine novelty, feasibility, and research value a core challenge. Existing methods based on large language models fail to…

Artificial Intelligence · Computer Science 2025-08-05 Shiyang Duan , Yuan Tian , Qi Bing , Xiaowei Shao
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