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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

Tree-search decoding is an effective form of test-time scaling for large language models (LLMs), but real-world deployment imposes a fixed per-query token budget that varies across settings. Existing tree-search policies are largely…

Computation and Language · Computer Science 2026-02-11 Sora Miyamoto , Daisuke Oba , Naoaki Okazaki

Large language models (LLMs) have demonstrated remarkable capabilities in code generation and structured reasoning; however, their performance often degrades on complex tasks that require consistent multi-step planning. Recent work has…

Machine Learning · Computer Science 2025-08-11 Fei Xu Yu , Gina Adam , Nathaniel D. Bastian , Tian Lan

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

Monte Carlo Tree Search (MCTS) is an effective test-time compute scaling (TTCS) method for improving the reasoning performance of large language models, but its highly variable execution time leads to severe long-tail latency in practice.…

Artificial Intelligence · Computer Science 2026-04-02 Hongbeen Kim , Juhyun Lee , Sanghyeon Lee , Kwanghoon Choi , Jaehyuk Huh

Probabilistic search algorithms, such as Monte Carlo Tree Search (MCTS), have proven very effective in solving sequential decision-making tasks under uncertainty. However, interpreting asymmetric search trees that incorporate bandit-based…

Human-Computer Interaction · Computer Science 2026-05-21 Siqi Lu , Mirsaleh Bahavarnia , Hiba Baroud , Yixuan Zhang , Hemant Purohit , Ayan Mukhopadhyay

Bayesian optimization (BO) is a popular method for computationally expensive black-box optimization. However, traditional BO methods need to solve new problems from scratch, leading to slow convergence. Recent studies try to extend BO to a…

Machine Learning · Computer Science 2024-12-11 Shukuan Wang , Ke Xue , Lei Song , Xiaobin Huang , Chao Qian

Large language Model (LLM)-assisted algorithm discovery is an iterative, black-box optimization process over programs to approximatively solve a target task, where an LLM proposes candidate programs and an external evaluator provides task…

Machine Learning · Computer Science 2026-02-04 Timothee Leleu , Sudeera Gunathilaka , Federico Ghimenti , Surya Ganguli

Bayesian Optimization (BO) has been widely used to efficiently optimize expensive black-box functions with limited evaluations. In this paper, we investigate the use of BO for prompt engineering to enhance text classification with Large…

Artificial Intelligence · Computer Science 2025-10-17 Adam Ballew , Jingbo Wang , Shaogang Ren

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

Large Language Models have excelled in remarkable reasoning capabilities with advanced prompting techniques, but they fall short on tasks that require exploration, strategic foresight, and sequential decision-making. Recent works propose to…

Computation and Language · Computer Science 2023-10-18 Zheyu Zhang , Zhuorui Ye , Yikang Shen , Chuang Gan

In response to the lack of trust in Artificial Intelligence (AI) for sequential planning, we design a Computational Tree Logic-guided large language model (LLM)-based natural language explanation framework designed for the Monte Carlo Tree…

Artificial Intelligence · Computer Science 2025-05-02 Ziyan An , Xia Wang , Hendrik Baier , Zirong Chen , Abhishek Dubey , Taylor T. Johnson , Jonathan Sprinkle , Ayan Mukhopadhyay , Meiyi Ma

Planning under resource constraints is central to real-world decision making, yet most large language model (LLM) planners assume uniform action costs. We systematically analyze whether tree-search LLM planners are cost-aware and whether…

Artificial Intelligence · Computer Science 2026-01-13 Zihao Zhang , Hui Wei , Kenan Jiang , Shijia Pan , Shu Kai , Fei Liu

Recent research suggests that tree search algorithms (e.g. Monte Carlo Tree Search) can dramatically boost LLM performance on complex mathematical reasoning tasks. However, they often require more than 10 times the computational resources…

Computation and Language · Computer Science 2024-07-02 Ante Wang , Linfeng Song , Ye Tian , Baolin Peng , Dian Yu , Haitao Mi , Jinsong Su , Dong Yu

High dimensional black-box optimization has broad applications but remains a challenging problem to solve. Given a set of samples $\{\vx_i, y_i\}$, building a global model (like Bayesian Optimization (BO)) suffers from the curse of…

Machine Learning · Computer Science 2022-03-15 Linnan Wang , Rodrigo Fonseca , Yuandong Tian

Large Language Models (LLMs) have demonstrated remarkable improvements in reasoning and planning through increased test-time compute, often by framing problem-solving as a search process. While methods like Monte Carlo Tree Search (MCTS)…

Artificial Intelligence · Computer Science 2025-06-06 Nathan Herr , Tim Rocktäschel , Roberta Raileanu

Automatic Heuristic Design (AHD) is an effective framework for solving complex optimization problems. The development of large language models (LLMs) enables the automated generation of heuristics. Existing LLM-based evolutionary methods…

Artificial Intelligence · Computer Science 2025-12-12 Hui Wang , Yang Liu , Xiaoyu Zhang , Chaoxu Mu

This paper presents a new type of hybrid model for Bayesian optimization (BO) adept at managing mixed variables, encompassing both quantitative (continuous and integer) and qualitative (categorical) types. Our proposed new hybrid models…

Machine Learning · Computer Science 2024-01-22 Hengrui Luo , Younghyun Cho , James W. Demmel , Xiaoye S. Li , Yang Liu

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

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
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