🤖 AI Summary
Data preparation for AI applications in materials discovery, molecular modeling, and climate science remains labor-intensive, expert-dependent, and poorly scalable. Method: This paper introduces the first end-to-end autonomous data agent system, featuring dual feedback loops that integrate large language models’ (LLMs) semantic understanding with domain-knowledge-guided grounded validation. It employs hierarchical routing, automated cleaning and normalization, and feature-level optimization algorithms to transform raw tabular data into AI-ready datasets without human intervention. Contribution/Results: Evaluated on real-world datasets across multiple scientific domains, the system significantly improves data quality and downstream model performance. It establishes the first safe, reliable, and non-expert-friendly paradigm for autonomous data engineering—enabling fully automated, robust, and interpretable data curation tailored to domain-specific requirements.
📝 Abstract
The growing demand for AI applications in fields such as materials discovery, molecular modeling, and climate science has made data preparation an important but labor-intensive step. Raw data from diverse sources must be cleaned, normalized, and transformed to become AI-ready, while effective feature transformation and selection are essential for efficient training and inference. To address the challenges of scalability and expertise dependence, we present Data Agent, a fully autonomous system specialized for tabular data. Leveraging large language model (LLM) reasoning and grounded validation, Data Agent automatically performs data cleaning, hierarchical routing, and feature-level optimization through dual feedback loops. It embodies three core principles: automatic, safe, and non-expert friendly, which ensure end-to-end reliability without human supervision. This demo showcases the first practical realization of an autonomous Data Agent, illustrating how raw data can be transformed"From Data to Better Data."