Reasoning as Gradient: Scaling MLE Agents Beyond Tree Search

Fuente: arXiv
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Main Authors: Zhang, Yifei, Yang, Xu, Yang, Xiao, Xian, Bowen, Li, Qizheng, Fang, Shikai, Li, Jingyuan, Wang, Jian, Xu, Mingrui, Liu, Weiqing, Bian, Jiang
Format: Preprint
Published: 2026
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author Zhang, Yifei
Yang, Xu
Yang, Xiao
Xian, Bowen
Li, Qizheng
Fang, Shikai
Li, Jingyuan
Wang, Jian
Xu, Mingrui
Liu, Weiqing
Bian, Jiang
author_facet Zhang, Yifei
Yang, Xu
Yang, Xiao
Xian, Bowen
Li, Qizheng
Fang, Shikai
Li, Jingyuan
Wang, Jian
Xu, Mingrui
Liu, Weiqing
Bian, Jiang
contents 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 enumeration becomes increasingly inefficient compared to directed updates, analogous to how accurate gradients enable efficient descent over random search. We introduce Gome, an MLE agent that operationalizes gradient-based optimization. Gome maps structured diagnostic reasoning to gradient computation, success memory to momentum, and multi-trace execution to distributed optimization. Under a closed-world protocol that isolates architectural effects from external knowledge, Gome achieves a state-of-the-art 35.1\% any-medal rate on MLE-Bench with a restricted 12-hour budget on a single V100 GPU. Scaling experiments across 10 models reveal a critical crossover: with weaker models, tree search retains advantages by compensating for unreliable reasoning through exhaustive exploration; as reasoning capability strengthens, gradient-based optimization progressively outperforms, with the gap widening at frontier-tier models. Given the rapid advancement of reasoning-oriented LLMs, this positions gradient-based optimization as an increasingly favorable paradigm. We release our codebase and GPT-5 traces at https://github.com/microsoft/RD-Agent.
format Preprint
id arxiv_https___arxiv_org_abs_2603_01692
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Reasoning as Gradient: Scaling MLE Agents Beyond Tree Search
Zhang, Yifei
Yang, Xu
Yang, Xiao
Xian, Bowen
Li, Qizheng
Fang, Shikai
Li, Jingyuan
Wang, Jian
Xu, Mingrui
Liu, Weiqing
Bian, Jiang
Machine Learning
Artificial Intelligence
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 enumeration becomes increasingly inefficient compared to directed updates, analogous to how accurate gradients enable efficient descent over random search. We introduce Gome, an MLE agent that operationalizes gradient-based optimization. Gome maps structured diagnostic reasoning to gradient computation, success memory to momentum, and multi-trace execution to distributed optimization. Under a closed-world protocol that isolates architectural effects from external knowledge, Gome achieves a state-of-the-art 35.1\% any-medal rate on MLE-Bench with a restricted 12-hour budget on a single V100 GPU. Scaling experiments across 10 models reveal a critical crossover: with weaker models, tree search retains advantages by compensating for unreliable reasoning through exhaustive exploration; as reasoning capability strengthens, gradient-based optimization progressively outperforms, with the gap widening at frontier-tier models. Given the rapid advancement of reasoning-oriented LLMs, this positions gradient-based optimization as an increasingly favorable paradigm. We release our codebase and GPT-5 traces at https://github.com/microsoft/RD-Agent.
title Reasoning as Gradient: Scaling MLE Agents Beyond Tree Search
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2603.01692