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High-dimensional design spaces underpin a wide range of physics-based modeling and computational design tasks in science and engineering. These problems are commonly formulated as constrained black-box searches over rugged objective…

Machine Learning · Computer Science 2026-01-13 Suvo Banik , Troy D. Loeffler , Henry Chan , Sukriti Manna , Orcun Yildiz , Tom Peterka , Subramanian Sankaranarayanan

In retrosynthetic planning, the huge number of possible routes to synthesize a complex molecule using simple building blocks leads to a combinatorial explosion of possibilities. Even experienced chemists often have difficulty to select the…

Artificial Intelligence · Computer Science 2023-06-13 Siqi Hong , Hankz Hankui Zhuo , Kebing Jin , Guang Shao , Zhanwen Zhou

Monte Carlo Tree Search (MCTS) algorithms perform simulation-based search to improve policies online. During search, the simulation policy is adapted to explore the most promising lines of play. MCTS has been used by state-of-the-art…

Machine Learning · Computer Science 2019-04-09 Thomas Anthony , Robert Nishihara , Philipp Moritz , Tim Salimans , John Schulman

Monte Carlo Tree Search (MCTS) has been proposed as a transformative approach to join-order optimization in database query processing, with recent frameworks such as AlphaJoin and HyperQO claiming to outperform traditional methods. However,…

We propose a provably correct Monte Carlo tree search (MCTS) algorithm for solving risk-aware Markov decision processes (MDPs) with entropic risk measure (ERM) objectives. We provide a non-asymptotic analysis of our proposed algorithm,…

Machine Learning · Computer Science 2026-02-06 Pedro P. Santos , Jacopo Silvestrin , Alberto Sardinha , Francisco S. Melo

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

This paper introduces MCTS-EP, an online learning framework that combines large language models (LLM) with Monte Carlo Tree Search (MCTS) for training embodied agents. MCTS-EP integrates three key components: MCTS-guided exploration for…

Artificial Intelligence · Computer Science 2025-12-17 Hang Xu , Zang Yu , Yehui Tang , Pengbo Hu , Yuhao Tang , Hao Dong

We propose a novel Parallel Monte Carlo tree search with Batched Simulations (PMBS) algorithm for accelerating long-horizon, episodic robotic planning tasks. Monte Carlo tree search (MCTS) is an effective heuristic search algorithm for…

Robotics · Computer Science 2022-07-15 Baichuan Huang , Abdeslam Boularias , Jingjin Yu

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

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

One of the most important AI research questions is to trade off computation versus performance since ``perfect rationality" exists in theory but is impossible to achieve in practice. Recently, Monte-Carlo tree search (MCTS) has attracted…

Artificial Intelligence · Computer Science 2022-10-25 Weirui Ye , Pieter Abbeel , Yang Gao

With the increasing number of financial services available online, the rate of financial fraud has also been increasing. The traffic and transaction rates on the internet have increased considerably, leading to a need for fast…

Computational Engineering, Finance, and Science · Computer Science 2024-11-08 Prashank Kadam

Medical diagnosis is a crucial task in the medical field, in terms of providing accurate classification and respective treatments. Having near-precise decisions based on correct diagnosis can affect a patient's life itself, and may…

Machine Learning · Computer Science 2025-08-27 A. Yarkın Yıldız , Asli Kalayci

Model-based reinforcement learning (RL) methods that leverage search are responsible for many milestone breakthroughs in RL. Sequential Monte Carlo (SMC) recently emerged as an alternative to the Monte Carlo Tree Search (MCTS) algorithm…

Machine Learning · Computer Science 2026-05-22 Yaniv Oren , Joery A. de Vries , Pascal R. van der Vaart , Matthijs T. J. Spaan , Wendelin Böhmer

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

Monte Carlo Tree Search (MCTS) is particularly adapted to domains where the potential actions can be represented as a tree of sequential decisions. For an effective action selection, MCTS performs many simulations to build a reliable tree…

Artificial Intelligence · Computer Science 2018-09-10 Seydou Ba , Takuya Hiraoka , Takashi Onishi , Toru Nakata , Yoshimasa Tsuruoka

In this paper we propose a novel reinforcement learning based model for sequence tagging, referred to as MM-Tag. Inspired by the success and methodology of the AlphaGo Zero, MM-Tag formalizes the problem of sequence tagging with a Monte…

Computation and Language · Computer Science 2018-05-21 Yadi Lao , Jun Xu , Yanyan Lan , Jiafeng Guo , Sheng Gao , Xueqi Cheng

Multi-grade deep learning (MGDL) has been shown to significantly outperform the standard single-grade deep learning (SGDL) across various applications. This work aims to investigate the computational advantages of MGDL focusing on its…

Machine Learning · Computer Science 2025-07-29 Ronglong Fang , Yuesheng Xu

Materials data, especially those related to high-temperature properties, pose significant challenges for machine learning models due to extreme skewness, wide feature ranges, modality, and complex relationships. While traditional models…

Materials Science · Physics 2025-09-22 Vahid Attari , Raymundo Arroyave

Proof-Number Search (PNS) and Monte-Carlo Tree Search (MCTS) have been successfully applied for decision making in a range of games. This paper proposes a new approach called PN-MCTS that combines these two tree-search methods by…

Artificial Intelligence · Computer Science 2022-06-09 Elliot Doe , Mark H. M. Winands , Dennis J. N. J. Soemers , Cameron Browne