AutoData: Agentic Search for Pre-training Data Selection

As model families, training recipes, and compute budgets become increasingly standardized, further gains in machine learning systems depend increasingly on data. Yet data engineering remains largely manual and ad hoc: practitioners repeatedly search for external datasets, adapt them to existing pipelines, validate candidate data through downstream training, and carry forward lessons from prior attempts. We study task-conditioned autonomous data engineering, where an autonomous agent improves a fixed learning algorithm by optimizing only the data side, including external data discovery, data selection and composition, cleaning and transformation. The goal is to obtain a stronger downstream solution while leaving the learning algorithm unchanged. To address the open-ended search space, branch-dependent refinement, and delayed validation inherent in autonomous data engineering, we propose DataMaster, a data-agent framework that integrates tree-structured search, shared candidate data, and cumulative memory. DataMaster consists of three key components: a DataTree that organizes alternative data-engineering branches, a shared Data Pool that stores discovered external data sources for reuse, and a Global Memory that records node outcomes, artifacts, and reusable findings. Together, these components allow the agent to discover candidate data, construct executable training inputs, evaluate them through downstream feedback, and carry useful evidence across branches. We evaluate DataMaster on two types of benchmarks, MLE-Bench Lite and PostTrainBench. On MLE-Bench Lite, it improves medal rate by 32.27% over the initial score; on PostTrainBench, it surpasses the instruct model on GPQA (31.02% vs 30.35%).

Large Language Models (LLMs) have demonstrated strong performance on general tasks, while often struggling to adapt to specialized domains without high-quality domain-specific data. Existing LLM-based data curation methods primarily rely on human-designed workflows, leaving it unexamined whether LLMs can autonomously execute an end-to-end data engineering pipeline for model specialization. We formalize Autonomous Agentic Data Engineering, a novel task designed to evaluate LLMs as autonomous data engineers that drive model specialization through end-to-end data curation. We frame data as an optimizable component and study agents that plan, generate, and iteratively optimize training data across multiple domains, guided by post-training performance improvement. Experiments show that autonomous LLM data engineers yield substantial gains, as GPT-5.2 constructs a training curriculum that improves a student model by 57.29%, entirely through iterative, agent-driven data adaptation. By illuminating both potential and bottlenecks, our study establishes autonomous data engineering as a measurable capability and charts a path toward agent-driven model specialization (Code will be released at https://github.com/zjunlp/DataAgent).

Although existing instruction data selection methods have introduced various metrics, the inherent complexity of real-world datasets makes it impractical for any single metric to generalize across all scenarios. Developers are thus often forced to manually inspect data and craft heuristic rules for each new application---a tedious and error-prone process. In this paper, we propose a paradigm shift from manual configuration to automated orchestration via the Instruction Data Selection Agent (DataMaster), which interprets user intent and autonomously composes optimal selection strategies. By allowing users to specify data needs through natural language descriptions, DataMaster simplifies data curation and removes the burden of manual strategy design. Extensive experiments across the math, medical, and code domains show that DataMaster outperforms static baselines in most settings and surpasses full-pool training in a substantial number of cases. The implementation of DataMaster and the scripts needed to reproduce the reported pipeline are publicly available at https://github.com/nju-websoft/DataMaster.