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Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on…

Artificial Intelligence · Computer Science 2025-10-10 Shangheng Du , Xiangchao Yan , Dengyang Jiang , Jiakang Yuan , Yusong Hu , Xin Li , Liang He , Bo Zhang , Lei Bai

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents…

Artificial Intelligence · Computer Science 2024-10-23 Yizhou Chi , Yizhang Lin , Sirui Hong , Duyi Pan , Yaying Fei , Guanghao Mei , Bangbang Liu , Tianqi Pang , Jacky Kwok , Ceyao Zhang , Bang Liu , Chenglin Wu

Reinforcement learning (RL) has demonstrated notable success in post-training large language models (LLMs) as agents for tasks such as computer use, tool calling, and coding. However, exploration remains a central challenge in RL for LLM…

Machine Learning · Computer Science 2026-03-03 Andrew Szot , Michael Kirchhof , Omar Attia , Alexander Toshev

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks,…

Artificial Intelligence · Computer Science 2025-11-04 Jiaye Lin , Yifu Guo , Yuzhen Han , Sen Hu , Ziyi Ni , Licheng Wang , Mingguang Chen , Hongzhang Liu , Ronghao Chen , Yangfan He , Daxin Jiang , Binxing Jiao , Chen Hu , Huacan Wang

AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which…

Recent advances in reinforcement learning (RL) have significantly enhanced the agentic capabilities of large language models (LLMs). In long-term and multi-turn agent tasks, existing approaches driven solely by outcome rewards often suffer…

Machine Learning · Computer Science 2026-03-19 Yuxiang Ji , Ziyu Ma , Yong Wang , Guanhua Chen , Xiangxiang Chu , Liaoni Wu

Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face…

Machine Learning · Computer Science 2025-03-19 Tennison Liu , Nicolas Huynh , Mihaela van der Schaar

Agents based on large language models (LLMs) for machine learning engineering (MLE) can automatically implement ML models via code generation. However, existing approaches to build such agents often rely heavily on inherent LLM knowledge…

Machine Learning · Computer Science 2025-08-29 Jaehyun Nam , Jinsung Yoon , Jiefeng Chen , Jinwoo Shin , Sercan Ö. Arık , Tomas Pfister

While language models (LMs) have shown potential across a range of decision-making tasks, their reliance on simple acting processes limits their broad deployment as autonomous agents. In this paper, we introduce Language Agent Tree Search…

Artificial Intelligence · Computer Science 2024-06-07 Andy Zhou , Kai Yan , Michal Shlapentokh-Rothman , Haohan Wang , Yu-Xiong Wang

In this paper, we examine how large language models (LLMs) solve multi-step problems under a language agent framework with three components: a generator, a discriminator, and a planning method. We investigate the practical utility of two…

Computation and Language · Computer Science 2024-06-07 Ziru Chen , Michael White , Raymond Mooney , Ali Payani , Yu Su , Huan Sun

Pre-trained on massive amounts of code and text data, large language models (LLMs) have demonstrated remarkable achievements in performing code generation tasks. With additional execution-based feedback, these models can act as agents with…

Computation and Language · Computer Science 2024-11-14 Jierui Li , Hung Le , Yingbo Zhou , Caiming Xiong , Silvio Savarese , Doyen Sahoo

Deep research agents have emerged as powerful systems for addressing complex queries. Meanwhile, LLM-based retrievers have demonstrated strong capability in following instructions or reasoning. This raises a critical question: can LLM-based…

Information Retrieval · Computer Science 2026-02-09 Tiansheng Hu , Yilun Zhao , Canyu Zhang , Arman Cohan , Chen Zhao

LLM-based optimization has shown remarkable potential in enhancing agentic systems. However, the conventional approach of prompting LLM optimizer with the whole training trajectories on training dataset in a single pass becomes untenable as…

Computation and Language · Computer Science 2025-05-08 Jiale Liu , Yifan Zeng , Shaokun Zhang , Chi Zhang , Malte Højmark-Bertelsen , Marie Normann Gadeberg , Huazheng Wang , Qingyun Wu

While Large Language Models (LLMs) have achieved remarkable success in a wide range of applications, their performance often degrades in complex reasoning tasks. In this work, we introduce SELT (Self-Evaluation LLM Tree Search), a novel…

Computation and Language · Computer Science 2025-06-10 Mengsong Wu , Di Zhang , Yuqiang Li , Dongzhan Zhou , Wenliang Chen

Designing efficient reward functions for low-level control tasks is a challenging problem. Recent research aims to reduce reliance on expert experience by using Large Language Models (LLMs) with task information to generate dense reward…

Artificial Intelligence · Computer Science 2026-03-02 Ning Gao , Xiuhui Zhang , Xingyu Jiang , Mukang You , Mohan Zhang , Yue Deng

Neural Architecture Search (NAS) aims to automatically discover high-performing deep neural network (DNN) architectures. However, conventional algorithm-driven NAS relies on carefully hand-crafted search spaces to ensure executability,…

Machine Learning · Computer Science 2026-04-21 Masakazu Yoshimura , Zitang Sun , Yuiko Sakuma , Junji Otsuka , Atsushi Irie , Takeshi Ohashi

Traditional optimization methods excel in well-defined search spaces but struggle with design problems where transformations and design parameters are difficult to define. Large language models (LLMs) offer a promising alternative by…

Machine Learning · Computer Science 2025-12-01 Anthony Carreon , Vansh Sharma , Venkat Raman

Autonomous agents powered by language models (LMs) have demonstrated promise in their ability to perform decision-making tasks such as web automation. However, a key limitation remains: LMs, primarily optimized for natural language…

Artificial Intelligence · Computer Science 2026-02-10 Jing Yu Koh , Stephen McAleer , Daniel Fried , Ruslan Salakhutdinov

Reinforcement learning (RL) has demonstrated strong potential in training large language models (LLMs) capable of complex reasoning for real-world problem solving. More recently, RL has been leveraged to create sophisticated LLM-based…

Computation and Language · Computer Science 2025-05-22 Bowen Jin , Jinsung Yoon , Priyanka Kargupta , Sercan O. Arik , Jiawei Han

We study whether self-learning can scale LLM-based agents without relying on human-curated datasets or predefined rule-based rewards. Through controlled experiments in a search-agent setting, we identify two key determinants of scalable…

Artificial Intelligence · Computer Science 2025-10-22 Wangtao Sun , Xiang Cheng , Jialin Fan , Yao Xu , Xing Yu , Shizhu He , Jun Zhao , Kang Liu
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