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Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Machine Learning · Computer Science 2025-02-18 Hyosoon Jang , Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

In this study, working with the task of object retrieval in clutter, we have developed a robot learning framework in which Monte Carlo Tree Search (MCTS) is first applied to enable a Deep Neural Network (DNN) to learn the intricate…

Robotics · Computer Science 2022-03-25 Baichuan Huang , Teng Guo , Abdeslam Boularias , Jingjin Yu

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

Taking into account future risk is essential for an autonomously operating robot to find online not only the best but also a safe action to execute. In this paper, we build upon the recently introduced formulation of probabilistic…

Artificial Intelligence · Computer Science 2024-11-12 Andrey Zhitnikov , Vadim Indelman

Monte Carlo tree search (MCTS) is one of the most capable online search algorithms for sequential planning tasks, with significant applications in areas such as resource allocation and transit planning. Despite its strong performance in…

Artificial Intelligence · Computer Science 2024-10-31 Ziyan An , Hendrik Baier , Abhishek Dubey , Ayan Mukhopadhyay , Meiyi Ma

We propose a novel method for reconstructing floor plans from noisy 3D point clouds. Our main contribution is a principled approach that relies on the Monte Carlo Tree Search (MCTS) algorithm to maximize a suitable objective function…

Computer Vision and Pattern Recognition · Computer Science 2021-09-14 Sinisa Stekovic , Mahdi Rad , Friedrich Fraundorfer , Vincent Lepetit

Monte Carlo Tree Search (MCTS) methods have achieved great success in many Artificial Intelligence (AI) benchmarks. The in-tree operations become a critical performance bottleneck in realizing parallel MCTS on CPUs. In this work, we develop…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-25 Yuan Meng , Rajgopal Kannan , Viktor Prasanna

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

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

We consider the popular tree-based search strategy within the framework of reinforcement learning, the Monte Carlo Tree Search (MCTS), in the context of finite-horizon Markov decision process. We propose a dynamic sampling tree policy that…

Artificial Intelligence · Computer Science 2023-05-09 Gongbo Zhang , Yijie Peng , Yilong Xu

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

Monte-Carlo Tree Search (MCTS) is one of the most-widely used methods for planning, and has powered many recent advances in artificial intelligence. In MCTS, one typically performs computations (i.e., simulations) to collect statistics…

Artificial Intelligence · Computer Science 2020-11-20 Eren Sezener , Peter Dayan

Monte Carlo Tree Search (MCTS) has recently emerged as a powerful technique for enhancing the reasoning capabilities of LLMs. Techniques such as SFT or DPO have enabled LLMs to distill high-quality behaviors from MCTS, improving their…

Machine Learning · Computer Science 2024-10-10 Xiyao Wang , Linfeng Song , Ye Tian , Dian Yu , Baolin Peng , Haitao Mi , Furong Huang , Dong Yu

Leveraging the power of a graph neural network (GNN) with message passing, we present a Monte Carlo Tree Search (MCTS) method to solve stochastic orienteering problems with chance constraints. While adhering to an assigned travel budget the…

Robotics · Computer Science 2025-08-19 Marcos Abel Zuzuárregui , Stefano Carpin

Generating novel molecules is challenging, with most representations leading to generative models producing many invalid molecules. Spanning Tree-based Graph Generation (STGG) is a promising approach to ensure the generation of valid…

Machine Learning · Computer Science 2025-07-17 Alexia Jolicoeur-Martineau , Aristide Baratin , Kisoo Kwon , Boris Knyazev , Yan Zhang

Constrained Markov decision processes (CMDPs), in which the agent optimizes expected payoffs while keeping the expected cost below a given threshold, are the leading framework for safe sequential decision making under stochastic…

Artificial Intelligence · Computer Science 2024-12-19 Martin Kurečka , Václav Nevyhoštěný , Petr Novotný , Vít Unčovský

Molecule generation is central to a variety of applications. Current attention has been paid to approaching the generation task as subgraph prediction and assembling. Nevertheless, these methods usually rely on hand-crafted or external…

Machine Learning · Computer Science 2022-12-20 Xiangzhe Kong , Wenbing Huang , Zhixing Tan , Yang Liu

Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset,…

Quantitative Methods · Quantitative Biology 2023-04-25 Zichao Wang , Weili Nie , Zhuoran Qiao , Chaowei Xiao , Richard Baraniuk , Anima Anandkumar

This article presents MCTS-BN, an adaptation of the Monte Carlo Tree Search (MCTS) algorithm for the structural learning of Bayesian Networks (BNs). Initially designed for game tree exploration, MCTS has been repurposed to address the…

Machine Learning · Computer Science 2025-02-04 Jorge D. Laborda , Pablo Torrijos , José M. Puerta , José A. Gámez

Monte Carlo tree search (MCTS) is a popular choice for solving sequential anytime problems. However, it depends on a numeric feedback signal, which can be difficult to define. Real-time MCTS is a variant which may only rarely encounter…

Artificial Intelligence · Computer Science 2018-09-20 Tobias Joppen , Christian Wirth , Johannes Fürnkranz
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