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Can AI agents discover better machine learning algorithms by learning from their mistakes?

Shangheng Du, Xiangchao Yan, Jinxin Shi, Zongsheng Cao, Shiyang Feng, Zichen Liang, Boyuan Sun, Tianshuo Peng, Yifan Zhou, Xin Li, Jie Zhou, Liang He, Bo Zhang, Lei Bai

June 4, 2026

MLEvolve uses multi-agent collaboration and a memory system to let LLM agents iteratively discover new machine learning algorithms. Unlike prior systems that forget past attempts and can't share insights across search branches, MLEvolve connects discoveries via a graph structure and stores reusable patterns. On MLE-Bench, it achieves top rankings while cutting runtime in half, and outperforms specialized algorithm discovery tools like AlphaEvolve on mathematical tasks. Code is released.
Published as MLEvolve: A Self-Evolving Framework for Automated Machine Learning Algorithm Discovery arXiv:2606.06473
Read the original paper →