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Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Software engineers operating in complex and dynamic environments must continuously adapt to evolving requirements, learn iteratively from experience, and reconsider their approaches based on new insights. However, current large language…

Artificial Intelligence · Computer Science 2025-04-03 Antonis Antoniades , Albert Örwall , Kexun Zhang , Yuxi Xie , Anirudh Goyal , William Wang

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

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

Large language models (LLMs) often struggle with complex reasoning tasks due to their limitations in addressing the vast reasoning space and inherent ambiguities of natural language. We propose the Mixture-of-Search-Agents (MoSA) paradigm,…

Artificial Intelligence · Computer Science 2025-02-27 Sen Yang , Yafu Li , Wai Lam , Yu Cheng

While Large Language Models (LLMs) have empowered AI research agents to perform isolated scientific tasks, automating complex, real-world workflows, such as LLM training, remains a significant challenge. In this paper, we introduce TREX, a…

Artificial Intelligence · Computer Science 2026-04-23 Zerun Ma , Guoqiang Wang , Xinchen Xie , Yicheng Chen , He Du , Bowen Li , Yanan Sun , Wenran Liu , Kai Chen , Yining Li

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

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

LLM-based agents for machine learning engineering (MLE) predominantly rely on tree search, a form of gradient-free optimization that uses scalar validation scores to rank candidates. As LLM reasoning capabilities improve, exhaustive…

Machine Learning · Computer Science 2026-04-14 Yifei Zhang , Xu Yang , Xiao Yang , Bowen Xian , Qizheng Li , Shikai Fang , Jingyuan Li , Jian Wang , Mingrui Xu , Weiqing Liu , Jiang Bian

Automated machine learning (AutoML) aims for constructing machine learning (ML) pipelines automatically. Many studies have investigated efficient methods for algorithm selection and hyperparameter optimization. However, methods for ML…

Machine Learning · Computer Science 2021-01-27 Marc-André Zöller , Tien-Dung Nguyen , Marco F. Huber

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

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

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

Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate,…

Databases · Computer Science 2026-03-06 Arnab Phani , Elias Strauss , Sebastian Schelter

Recent LLM-based agents have demonstrated strong capabilities in automated ML engineering. However, they heavily rely on repeated full training runs to evaluate candidate solutions, resulting in significant computational overhead, limited…

Artificial Intelligence · Computer Science 2025-11-07 Zhuowen Yuan , Tao Liu , Yang Yang , Yang Wang , Feng Qi , Kaushik Rangadurai , Bo Li , Shuang Yang

This paper presents an experimental comparison among four Automated Machine Learning (AutoML) methods for recommending the best classification algorithm for a given input dataset. Three of these methods are based on Evolutionary Algorithms…

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

Memory systems are widely adopted to enhance LLMs for long-horizon tasks, and are commonly organized as multi-agent pipelines with memory building, summarizing, and retrieval agents. To empower this system, existing RL-based methods either…

Multiagent Systems · Computer Science 2026-05-07 Marina Mao , Alexandr Liu , Pengbo Li , Siheng Li , Bo Zhou , Xiang Wang

Optimizing a machine learning pipeline for a task at hand requires careful configuration of various hyperparameters, typically supported by an AutoML system that optimizes the hyperparameters for the given training dataset. Yet, depending…

Machine Learning · Computer Science 2023-10-17 Felix Neutatz , Marius Lindauer , Ziawasch Abedjan

Automated machine learning (AutoML) has democratized the design of machine learning based systems, by automating model selection, hyperparameter tuning and feature engineering. However, the high computational cost associated with…

Machine Learning · Computer Science 2025-08-20 Edesio Alcobaça , André C. P. L. F. de Carvalho
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