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In this work we consider Code World Models, world models generated by a Large Language Model (LLM) in the form of Python code for model-based Reinforcement Learning (RL). Calling code instead of LLMs for planning has potential to be more…

Artificial Intelligence · Computer Science 2024-10-31 Nicola Dainese , Matteo Merler , Minttu Alakuijala , Pekka Marttinen

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel…

Artificial Intelligence · Computer Science 2023-11-07 Henry W. Sprueill , Carl Edwards , Mariefel V. Olarte , Udishnu Sanyal , Heng Ji , Sutanay Choudhury

This paper explores a top-down approach to automating incremental advances in machine learning research through component-level innovation, facilitated by Large Language Models (LLMs). Our framework systematically generates novel…

Machine Learning · Computer Science 2024-09-10 Shervin Ardeshir

This paper introduces the MCTS algorithm to the financial world and focuses on solving significant multi-period financial planning models by combining a Monte Carlo Tree Search algorithm with a deep neural network. The MCTS provides an…

Computational Finance · Quantitative Finance 2022-05-19 Afşar Onat Aydınhan , Xiaoyue Li , John M. Mulvey

In this research, we investigate the possibility of applying a search strategy to genetic algorithms to explore the entire genetic tree structure. Several methods aid in performing tree searches; however, simpler algorithms such as…

Neural and Evolutionary Computing · Computer Science 2023-08-10 Akshay Hebbar

This paper presents Grammar Reinforcement Learning (GRL), a reinforcement learning algorithm that uses Monte Carlo Tree Search (MCTS) and a transformer architecture that models a Pushdown Automaton (PDA) within a context-free grammar (CFG)…

Artificial Intelligence · Computer Science 2025-01-24 Jason Piquenot , Maxime Bérar , Pierre Héroux , Jean-Yves Ramel , Romain Raveaux , Sébastien Adam

Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem…

Machine Learning · Computer Science 2025-10-23 Dong Li , Xujiang Zhao , Linlin Yu , Yanchi Liu , Wei Cheng , Zhengzhang Chen , Zhong Chen , Feng Chen , Chen Zhao , Haifeng Chen

Constraint Programming (CP) and Machine Learning (ML) face challenges in text generation due to CP's struggle with implementing "meaning'' and ML's difficulty with structural constraints. This paper proposes a solution by combining both…

Computation and Language · Computer Science 2024-09-26 Florian Régin , Elisabetta De Maria , Alexandre Bonlarron

We introduce iterative retrieval, a novel framework that empowers retrievers to make iterative decisions through policy optimization. Finding an optimal portfolio of retrieved items is a combinatorial optimization problem, generally…

Computation and Language · Computer Science 2024-06-24 Yunmo Chen , Tongfei Chen , Harsh Jhamtani , Patrick Xia , Richard Shin , Jason Eisner , Benjamin Van Durme

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

This paper presents a novel approach to automatically solving arithmetic word problems. This is the first algorithmic approach that can handle arithmetic problems with multiple steps and operations, without depending on additional…

Computation and Language · Computer Science 2016-08-23 Subhro Roy , Dan Roth

Tool learning has emerged as a crucial capability for large language models (LLMs) to solve complex real-world tasks through interaction with external tools. Existing approaches face significant challenges, including reliance on…

Computation and Language · Computer Science 2025-06-02 Hanxing Ding , Shuchang Tao , Liang Pang , Zihao Wei , Jinyang Gao , Bolin Ding , Huawei Shen , Xueqi Cheng

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

Large language models (LLMs) have recently attracted considerable interest for their ability to perform complex reasoning tasks, such as chain-of-thought (CoT) reasoning. However, most of the existing approaches to enhance this ability rely…

Computation and Language · Computer Science 2024-08-08 Xinyi Wang , Lucas Caccia , Oleksiy Ostapenko , Xingdi Yuan , William Yang Wang , Alessandro Sordoni

Program Synthesis is the task of generating a program from a provided specification. Traditionally, this has been treated as a search problem by the programming languages (PL) community and more recently as a supervised learning problem by…

Artificial Intelligence · Computer Science 2018-06-11 Riley Simmons-Edler , Anders Miltner , Sebastian Seung

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

Monte Carlo Tree Search (MCTS) is a powerful approach to designing game-playing bots or solving sequential decision problems. The method relies on intelligent tree search that balances exploration and exploitation. MCTS performs random…

Artificial Intelligence · Computer Science 2023-04-04 Maciej Świechowski , Konrad Godlewski , Bartosz Sawicki , Jacek Mańdziuk

Efficient and automated design of optimizers plays a crucial role in full-stack AutoML systems. However, prior methods in optimizer search are often limited by their scalability, generability, or sample efficiency. With the goal of…

Machine Learning · Computer Science 2022-09-29 Ruochen Wang , Yuanhao Xiong , Minhao Cheng , Cho-Jui Hsieh

The single-track railway train timetabling problem (TTP) is an important and complex problem. This article proposes an integrated Monte Carlo Tree Search (MCTS) computing framework that combines heuristic methods, unsupervised learning…

Machine Learning · Computer Science 2023-11-03 Feiyu Yang

Large Language Models (LLMs) have achieved remarkable capabilities, yet their improvement methods remain fundamentally constrained by human design. We present Self-Developing, a framework that enables LLMs to autonomously discover,…

Computation and Language · Computer Science 2025-06-11 Yoichi Ishibashi , Taro Yano , Masafumi Oyamada