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(LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise.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

Recent methodologies in LLM self-training mostly rely on LLM generating responses and filtering those with correct output answers as training data. This approach often yields a low-quality fine-tuning training set (e.g., incorrect plans or…

Computation and Language · Computer Science 2024-11-19 Dan Zhang , Sining Zhoubian , Ziniu Hu , Yisong Yue , Yuxiao Dong , Jie Tang

In this study, we explore the efficiency of the Monte Carlo Tree Search (MCTS), a prominent decision-making algorithm renowned for its effectiveness in complex decision environments, contingent upon the volume of simulations conducted.…

Artificial Intelligence · Computer Science 2024-03-19 Ye Zhang , Mengran Zhu , Kailin Gui , Jiayue Yu , Yong Hao , Haozhan Sun

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

We examine a type of modified Monte Carlo Tree Search (MCTS) for strategising in combinatorial games. The modifications are derived by analysing simplified strategies and simplified versions of the underlying game and then using the results…

Computer Science and Game Theory · Computer Science 2025-01-14 Michael Haythorpe , Alex Newcombe , Damian O'Dea

Monte Carlo Tree Search (MCTS) has shown its strength for a lot of deterministic and stochastic examples, but literature lacks reports of applications to real world industrial processes. Common reasons for this are that there is no…

Artificial Intelligence · Computer Science 2021-08-05 Dorina Weichert , Felix Horchler , Alexander Kister , Marcus Trost , Johannes Hartung , Stefan Risse

Large language models (LLMs) are commonly trained on multi-domain datasets, where domain sampling strategies significantly impact model performance due to varying domain importance across downstream tasks. Existing approaches for optimizing…

Computation and Language · Computer Science 2025-08-25 Weijie Shi , Jipeng Zhang , Yaguang Wu , Jingzhi Fang , Ruiyuan Zhang , Jiajie Xu , Jia Zhu , Hao Chen , Yao Zhao , Sirui Han , Xiaofang Zhou

Sequential decision-making under cost-sensitive tasks is prohibitively daunting, especially for the problem that has a significant impact on people's daily lives, such as malaria control, treatment recommendation. The main challenge faced…

Machine Learning · Computer Science 2021-05-06 Lixin Zou , Long Xia , Linfang Hou , Xiangyu Zhao , Dawei Yin

The Job Shop Scheduling Problem (JSSP) is a well-known optimization problem in manufacturing, where the goal is to determine the optimal sequence of jobs across different machines to minimize a given objective. In this work, we focus on…

Artificial Intelligence · Computer Science 2025-01-31 Laurie Boveroux , Damien Ernst , Quentin Louveaux

One-shot neural architecture search (NAS) methods significantly reduce the search cost by considering the whole search space as one network, which only needs to be trained once. However, current methods select each operation independently…

Computer Vision and Pattern Recognition · Computer Science 2021-03-23 Xiu Su , Tao Huang , Yanxi Li , Shan You , Fei Wang , Chen Qian , Changshui Zhang , Chang Xu

The discovery of patterns that accurately discriminate one class label from another remains a challenging data mining task. Subgroup discovery (SD) is one of the frameworks that enables to elicit such interesting hypotheses from labeled…

Data Structures and Algorithms · Computer Science 2017-12-07 Guillaume Bosc , Jean-François Boulicaut , Chedy Raïssi , Mehdi Kaytoue

Finding a concise and interpretable mathematical formula that accurately describes the relationship between each variable and the predicted value in the data is a crucial task in scientific research, as well as a significant challenge in…

Machine Learning · Computer Science 2024-01-31 Yanjie Li , Weijun Li , Lina Yu , Min Wu , Jingyi Liu , Wenqiang Li , Meilan Hao , Shu Wei , Yusong Deng

Large language models (LM) based on Transformers allow to generate plausible long texts. In this paper, we explore how this generation can be further controlled at decoding time to satisfy certain constraints (e.g. being non-toxic,…

Computation and Language · Computer Science 2022-05-05 Antoine Chaffin , Vincent Claveau , Ewa Kijak

Planning problems are among the most important and well-studied problems in artificial intelligence. They are most typically solved by tree search algorithms that simulate ahead into the future, evaluate future states, and back-up those…

Artificial Intelligence · Computer Science 2018-07-18 Arthur Guez , Théophane Weber , Ioannis Antonoglou , Karen Simonyan , Oriol Vinyals , Daan Wierstra , Rémi Munos , David Silver

While the complex reasoning capability of Large Language Models (LLMs) has attracted significant attention, single-agent systems often encounter inherent performance ceilings in complex tasks such as code generation. Multi-agent…

Repository-level software engineering tasks require large language models (LLMs) to efficiently navigate and extract information from complex codebases through multi-turn tool interactions. Existing approaches face significant limitations:…

Software Engineering · Computer Science 2025-10-31 Guochang Li , Yuchen Liu , Zhen Qin , Yunkun Wang , Jianping Zhong , Chen Zhi , Binhua Li , Fei Huang , Yongbin Li , Shuiguang Deng

Text-based games provide valuable environments for language-based autonomous agents. However, planning-then-learning paradigms, such as those combining Monte Carlo Tree Search (MCTS) and reinforcement learning (RL), are notably…

Computation and Language · Computer Science 2025-04-24 Zijing Shi , Meng Fang , Ling Chen

This paper introduces COR-MCTS (Conservation of Resources - Monte Carlo Tree Search), a novel tactical decision-making approach for automated driving focusing on maneuver planning over extended horizons. Traditional decision-making…

Robotics · Computer Science 2025-04-23 Karim Essalmi , Fernando Garrido , Fawzi Nashashibi

In this research, we investigate the possibility of applying a search strategy to genetic algorithms to explore the entire genetic tree structure. Several methods aid in performing tree searches; however, simpler algorithms such as…

Neural and Evolutionary Computing · Computer Science 2023-08-10 Akshay Hebbar

We present a scalable tree search planning algorithm for large multi-agent sequential decision problems that require dynamic collaboration. Teams of agents need to coordinate decisions in many domains, but naive approaches fail due to the…

Artificial Intelligence · Computer Science 2021-01-14 Shushman Choudhury , Jayesh K. Gupta , Peter Morales , Mykel J. Kochenderfer
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