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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

Inference-time scaling strategies, particularly Monte Carlo Tree Search (MCTS), have significantly enhanced the reasoning capabilities of Large Language Models (LLMs). However, current approaches remain predominantly stateless, discarding…

Artificial Intelligence · Computer Science 2026-02-05 Hao Lu , Haoyuan Huang , Yulin Zhou , Chen Li , Ningxin Zhu

Inference-time reasoning scaling has significantly advanced the capabilities of Large Language Models (LLMs) in complex problem-solving. A prevalent approach involves external search guided by Process Reward Models (PRMs). However, a…

Machine Learning · Computer Science 2026-02-09 Zeen Song , Zihao Ma , Wenwen Qiang , Changwen Zheng , Gang Hua

Large language models (LLMs) have shown strong capabilities across diverse decision-making tasks. However, existing approaches often overlook the specialization differences among available models, treating all LLMs as uniformly applicable…

Artificial Intelligence · Computer Science 2026-02-02 Wei Zhu , Lixing Yu , Hao-Ren Yao , Zhiwen Tang , Kun Yue

Large Language Models (LLMs) have demonstrated remarkable reasoning capabilities, yet their standard generation process -- auto-regressive token prediction -- is inherently myopic and prone to cascading errors. To address this, the…

Artificial Intelligence · Computer Science 2026-05-28 Guni Sharon

Large language models (LLMs) are capable of answering knowledge-intensive complex questions with chain-of-thought (CoT) reasoning. However, they tend to generate factually incorrect reasoning steps when the required knowledge is not…

Computation and Language · Computer Science 2023-11-27 Shulin Cao , Jiajie Zhang , Jiaxin Shi , Xin Lv , Zijun Yao , Qi Tian , Juanzi Li , Lei Hou

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,…

Language models generate reasoning sequentially, preventing them from decoupling irrelevant exploration paths during search. We introduce Tree-Structured Language Modeling (TSLM), which uses special tokens to encode branching structure,…

Computation and Language · Computer Science 2026-02-02 Doyoung Kim , Jaehyeok Doo , Minjoon Seo

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

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

Large Language Models (LLMs) can generate useful code, but often the code they generate cannot be trusted to be sound. In this paper, we present VerMCTS, an approach to begin to resolve this issue by generating verified programs in Dafny…

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

LiTS is a modular Python framework for LLM reasoning via tree search. It decomposes tree search into three reusable components (Policy, Transition, and RewardModel) that plug into algorithms like MCTS and BFS. A decorator-based registry…

Artificial Intelligence · Computer Science 2026-05-19 Xinzhe Li , Yaguang Tao

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

The AlphaZero/MuZero (A/MZ) family of algorithms has achieved remarkable success across various challenging domains by integrating Monte Carlo Tree Search (MCTS) with learned models. Learned models introduce epistemic uncertainty, which is…

Machine Learning · Computer Science 2026-05-18 Yaniv Oren , Viliam Vadocz , Matthijs T. J. Spaan , Wendelin Böhmer

While model serving has unlocked unprecedented capabilities, the high cost of serving large-scale models continues to be a significant barrier to widespread accessibility and rapid innovation. Compiler optimizations have long driven…

Machine Learning · Computer Science 2026-02-05 Annabelle Sujun Tang , Christopher Priebe , Rohan Mahapatra , Lianhui Qin , Hadi Esmaeilzadeh

While researchers have made significant progress in enabling large language models (LLMs) to perform multi-step planning, LLMs struggle to ensure that those plans align with high-level user intent and satisfy symbolic constraints,…

Machine Learning · Computer Science 2026-05-14 Kamel Alrashedy , Vriksha Srihari , Zulfiqar Zaidi , Ridam Srivastava , Pradyumna Tambwekar , Matthew Gombolay

Large Language Models (LLMs) demonstrate impressive capabilities, yet their outputs often suffer from misalignment with human preferences due to the inadequacy of weak supervision and a lack of fine-grained control. Training-time alignment…

Computation and Language · Computer Science 2026-01-05 Zhenyu Ding , Yuhao Wang , Tengyue Xiao , Haoying Wang , Caigui Jiang , Ning Ding

We explore applying the Monte Carlo Tree Search (MCTS) algorithm in a notoriously difficult task: tuning programs for high-performance deep learning and image processing. We build our framework on top of Halide and show that MCTS can…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-05-29 Ameer Haj-Ali , Hasan Genc , Qijing Huang , William Moses , John Wawrzynek , Krste Asanović , Ion Stoica

Symbolic regression aims to discover concise, interpretable mathematical expressions that satisfy desired objectives, such as fitting data, posing a highly combinatorial optimization problem. While genetic programming has been the dominant…

Machine Learning · Computer Science 2025-09-25 Zhengyao Huang , Daniel Zhengyu Huang , Tiannan Xiao , Dina Ma , Zhenyu Ming , Hao Shi , Yuanhui Wen