RD-Agent: An LLM-Agent Framework Towards Autonomous Data Science

RD-Agent: An LLM-Agent Framework Towards Autonomous Data Science

Xu Yang
Xiao Yang
Shikai Fang
Yifei Zhang
Jian Wang
Bowen Xian
Qizheng Li
Jingyuan Li
Minrui Xu
Yuante Li
Haoran Pan
Yuge Zhang
Weiqing Liu
Yelong Shen
Weizhu Chen
Jiang Bian
Published on 5/20/2025
Cross-asset
AI
LLM
Multi-Agent
Machine learning

The paper presents R&D-Agent, a novel framework designed to address the growing complexity and expertise requirements in machine learning engineering (MLE) by formalizing the MLE process into a structured, autonomous system. It decouples the workflow into two phases and six components, transforming agent design from an ad-hoc, craftsmanship-based approach into a principled and testable methodology. This framework aims to overcome the labor-intensive and iterative nature of high-level MLE tasks, which are not fully alleviated by current crowd-sourcing platforms, by enabling the development of efficient agents inspired by human experts.

R&D-Agent demonstrates significant practical impact by achieving state-of-the-art performance, with its built agent ranking as the top-performing MLE agent on the MLE-Bench benchmark, attaining a 35.1% any medal rate. This highlights the framework's ability to speed up innovation and improve accuracy across diverse data science applications. The authors have open-sourced the framework on GitHub, promoting further research and development in autonomous data science, while showing that existing agents can be viewed as partial optimizations within this comprehensive framework.

Highlights

  • 1Introduces R&D-Agent, a comprehensive framework for formalizing the machine learning engineering (MLE) process
  • 2Decouples the MLE workflow into two phases and six components for principled agent design
  • 3Achieves state-of-the-art performance with a 35.1% any medal rate on MLE-Bench
  • 4Transforms agent design from ad-hoc craftsmanship into a testable, extensible process
  • 5Open-sources the framework to accelerate innovation in autonomous data science

Methods

  • M
    Framework-based formalization of MLE workflow into phases and components
  • M
    Design of efficient agents inspired by human expert strategies
  • M
    Evaluation on MLE-Bench benchmark for performance assessment
  • M
    Decoupled and extensible architecture for modular agent development

Results

  • R
    R&D-Agent ranks as the top-performing MLE agent on MLE-Bench
  • R
    Achieves a 35.1% any medal rate, demonstrating high effectiveness
  • R
    Framework enables significant improvements in accuracy and speed for data science tasks
  • R
    Existing agents are shown to be partial optimizations of the framework's baseline
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