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Related papers: CombiMOTS: Combinatorial Multi-Objective Tree Sear…

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There exists a broad class of sequencing problems, for example, in proteins and polymers that can be formulated as a heuristic search algorithm that involve decision making akin to a computer game. AI gaming algorithms such as Monte Carlo…

Soft Condensed Matter · Physics 2020-06-08 Tarak K Patra , Troy D. Loeffler , Subramanian K R S Sankaranarayanan

In this work we study a well-known and challenging problem of Multi-agent Pathfinding, when a set of agents is confined to a graph, each agent is assigned a unique start and goal vertices and the task is to find a set of collision-free…

Artificial Intelligence · Computer Science 2023-07-26 Yelisey Pitanov , Alexey Skrynnik , Anton Andreychuk , Konstantin Yakovlev , Aleksandr Panov

The large-scale multiobjective optimization problem (LSMOP) is characterized by simultaneously optimizing multiple conflicting objectives and involving hundreds of decision variables. Many real-world applications in engineering fields can…

Neural and Evolutionary Computing · Computer Science 2023-04-17 Haokai Hong , Min Jiang , Gary G. Yen

From medicines to materials, small organic molecules are indispensable for human well-being. To plan their syntheses, chemists employ a problem solving technique called retrosynthesis. In retrosynthesis, target molecules are recursively…

Artificial Intelligence · Computer Science 2018-04-17 Marwin H. S. Segler , Mike Preuss , Mark P. Waller

Monte-Carlo tree search (MCTS) is an effective anytime algorithm with a vast amount of applications. It strategically allocates computational resources to focus on promising segments of the search tree, making it a very attractive search…

Artificial Intelligence · Computer Science 2024-02-14 Cedric Derstroff , Jannis Brugger , Jannis Blüml , Mira Mezini , Stefan Kramer , Kristian Kersting

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

Non-monotone object rearrangement planning in confined spaces such as cabinets and shelves is a widely occurring but challenging problem in robotics. Both the robot motion and the available regions for object relocation are highly…

Robotics · Computer Science 2024-08-09 Hanwen Ren , Ahmed H. Qureshi

Drug discovery is vitally important for protecting human against disease. Target-based screening is one of the most popular methods to develop new drugs in the past several decades. This method efficiently screens candidate drugs inhibiting…

Quantitative Methods · Quantitative Biology 2022-11-22 Fan Hu , Dongqi Wang , Huazhen Huang , Yishen Hu , Peng Yin

This paper presents an efficient approach to object manipulation planning using Monte Carlo Tree Search (MCTS) to find contact sequences and an efficient ADMM-based trajectory optimization algorithm to evaluate the dynamic feasibility of…

Robotics · Computer Science 2023-03-21 Huaijiang Zhu , Avadesh Meduri , Ludovic Righetti

Many robotic tasks, such as inverse kinematics, motion planning, and optimal control, can be formulated as optimization problems. Solving these problems involves addressing nonlinear kinematics, complex contact dynamics, long-horizon…

Robotics · Computer Science 2025-09-10 Teng Xue , Yan Zhang , Amirreza Razmjoo , Sylvain Calinon

In this paper, we present a new algorithm for parallel Monte Carlo tree search (MCTS). It is based on the pipeline pattern and allows flexible management of the control flow of the operations in parallel MCTS. The pipeline pattern provides…

Artificial Intelligence · Computer Science 2017-04-04 S. Ali Mirsoleimani , Aske Plaat , Jaap van den Herik , Jos Vermaseren

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

Monte-Carlo Tree Search (MCTS) is a fundamental sampling-based search algorithm widely used for online planning in sequential decision-making domains. Despite its success in driving recent advances in artificial intelligence, understanding…

Artificial Intelligence · Computer Science 2026-04-17 Yiyu Qian , Liyuan Zhao , Tim Miller

The integration of autonomous vehicles into urban and highway environments necessitates the development of robust and adaptable behavior planning systems. This study presents an innovative approach to address this challenge by utilizing a…

Robotics · Computer Science 2023-10-19 Qianfeng Wen , Zhongyi Gong , Lifeng Zhou , Zhongshun Zhang

Monte-Carlo Tree Search (MCTS) is a class of methods for solving complex decision-making problems through the synergy of Monte-Carlo planning and Reinforcement Learning (RL). The highly combinatorial nature of the problems commonly…

Artificial Intelligence · Computer Science 2022-02-16 Tuan Dam , Carlo D'Eramo , Jan Peters , Joni Pajarinen

Searching for novel molecules with desired chemical properties is crucial in drug discovery. Existing work focuses on developing neural models to generate either molecular sequences or chemical graphs. However, it remains a big challenge to…

Biomolecules · Quantitative Biology 2021-03-22 Yutong Xie , Chence Shi , Hao Zhou , Yuwei Yang , Weinan Zhang , Yong Yu , Lei Li

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

Monte Carlo Tree Search (MCTS), most famously used in game-play artificial intelligence (e.g., the game of Go), is a well-known strategy for constructing approximate solutions to sequential decision problems. Its primary innovation is the…

Optimization and Control · Mathematics 2017-04-21 Daniel R. Jiang , Lina Al-Kanj , Warren B. Powell

Monte Carlo Tree Search (MCTS) is a branch of stochastic modeling that utilizes decision trees for optimization, mostly applied to artificial intelligence (AI) game players. This project imagines a game in which an AI player searches for a…

Machine Learning · Computer Science 2020-12-01 Elana Kozak , Scott Hottovy

We present Doubly Robust Monte Carlo Tree Search (DR-MCTS), a novel algorithm that integrates Doubly Robust (DR) off-policy estimation into Monte Carlo Tree Search (MCTS) to enhance sample efficiency and decision quality in complex…

Machine Learning · Statistics 2025-02-05 Manqing Liu , Andrew L. Beam