Exploring Autonomous Agentic Data Engineering for Model Specialization

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%).

LLM agents have recently shown promise in automating machine learning engineering by editing model and training code under execution feedback. Data, however, remains largely outside this agentic optimisation loop. We frame pre-training data selection as heuristic engineering over per-document features, i.e., lexical statistics, categorical labels, and perplexity. We introduce AutoData, an agent that searches directly over executable selection algorithms. Unlike prior data mixture methods that optimise weights over a fixed set of domains, AutoData searches a richer program space of scoring, stratification, and stochastic selection rules, discovering feature interactions automatically by iteratively refining algorithms with validation feedback from a proxy model. Within an overnight search, AutoData discovers a selection algorithm that outperforms existing human-designed curation pipelines. Despite being searched only on this small proxy, the discovered recipe transfers to larger scales and improves the downstream metric CORE. These results suggest that data engineering can be treated as an agentic machine learning problem, extending autonomous research from model and training-code optimization to the data.

Large language models (LLMs) and LLM-based agents are increasingly being deployed to automate complex workflows, promising to revolutionize data management and processing. However, existing benchmarks predominantly focus on simplified Text-to-SQL translation or data analysis, leaving the critical and complex domain of end-to-end data engineering largely unexplored. To bridge this gap, we introduce DataClawEval, the first comprehensive benchmark designed specifically to evaluate the end-to-end task completion capabilities of autonomous agents in real-world data engineering scenarios. Built upon production-grade code authored by professional enterprise data engineers, it comprises 100 rigorous, end-to-end tasks spanning five execution engines: PySpark, MySQL, HiveSQL, PrestoSQL/Trino, and FlinkSQL. Rather than non-deterministic LLM-as-a-judge scoring, each task is executed within a case-specific, isolated sandbox and graded by deterministic, rule-based scripts. Evaluating 16 frontier agents exposes critical limitations: The strongest model attains only 74.9 overall, and no single model dominates, as each excels on a different engine, revealing strict domain specialization rather than omnipotent proficiency. Thus, autonomous data engineering remains a formidable, unresolved challenge. We release our dataset, containerized environments, and deterministic evaluation scripts at https://github.com/Dicemy/DataClawEval/tree/master