AIBuildAI: An AI Agent for Automatically Building AI Models

AI models underpin data-centric applications from image and text processing to scientific discovery in biology, physics, and chemistry. Yet developing them remains heavily manual, requiring practitioners to design architectures, build training pipelines, and iteratively refine solutions, making it challenging for natural scientists without specialized AI engineering expertise to build the high-performing models their research demands. To reduce this burden and broaden access to AI for scientific discovery, agents that automatically build AI models have been proposed. However, the performance of these agents is largely limited by the parametric knowledge of their underlying large language models, which is static, often outdated, and sparse on practical AI model engineering know-how. To address this limitation, we introduce AIBuildAI-2, a knowledge-enhanced agent with an external, evolving knowledge system for automatically building AI models. The knowledge system of AIBuildAI-2 is hierarchical, organizing curated AI development knowledge into high-level knowledge instructions over topical categories and low-level knowledge documents under each category, from which the agent dynamically loads only the context relevant to its current state and the AI task being solved, grounding each design and implementation decision in concrete, externally verifiable expertise. The system is initialized by collecting and cleaning AI-development-related documents from the web and organizing them into the corresponding categories, and continually evolves from the agent's own experience by distilling each completed run on an AI task into structured takeaways that are written back into the knowledge system. AIBuildAI-2 achieves state-of-the-art results, ranking first on MLE-Bench with a 70.7% medal rate and placing in the top 6.6% among 4,370 human-expert teams in a heart disease prediction competition.

Autonomous agents that automatically build artificial intelligence (AI) models could broaden access to AI across science and engineering. A popular line of such agents frames model building as a code search problem and solves it by tree search, in which each node is a candidate program and the tree grows by generating a child program from a parent, and these agents now approach the capability of experienced AI engineers on realistic benchmarks. However, these agents have three weaknesses in efficiency that have not been fully addressed. First, only a small number of candidates can be executed within a realistic budget, so search rules that rank nodes by executed rewards, such as Monte Carlo-style tree search, rely on few and noisy scores and select the next node to explore less effectively. Second, no resource-aware strategy is used to schedule training jobs, which can lower hardware utilization and training efficiency. Third, every agent call is served by a single powerful model, which inflates inference cost. Here we introduce AIBuildAI-2.5, an agentic system that carries out the tree search with LLM agents and addresses each of the three issues. AIBuildAI-2.5 proposes a novel LLM-guided tree search, in which a judge scores each candidate on its expected improvement, grounding, and feasibility, and a selector ranks the pool of candidates from these scores and the state of the search. In addition, AIBuildAI-2.5 comprises a scheduler that launches training jobs with the current hardware resource status taken into account and a router that assigns lower-cost LLMs to less demanding tasks while reserving the most capable LLM for the most challenging sub-tasks in the AI model building workflow. AIBuildAI-2.5 ranks first on MLE-Bench with a medal rate of 73.3%, and outperforms a strong baseline on six autonomous AI research tasks from AIRS-Bench.

The purpose of our paper is to develop a unified multi-agent architecture that automates end-to-end machine learning (ML) pipeline generation from datasets and natural-language (NL) goals, improving efficiency, robustness and explainability. A five-agent system is proposed to handle profiling, intent parsing, microservice recommendation, Directed Acyclic Graph (DAG) construction and execution. It integrates code-grounded Retrieval-Augmented Generation (RAG) for microservice understanding, an explainable hybrid recommender combining multiple criteria, a self-healing mechanism using Large Language Model (LLM)-based error interpretation and adaptive learning from execution history. The approach is evaluated on 150 ML tasks across diverse scenarios. The system achieves an 84.7% end-to-end pipeline success rate, outperforming baseline methods. It demonstrates improved robustness through self-healing and reduces workflow development time compared to manual construction. The study introduces a novel integration of code-grounded RAG, explainable recommendation, self-healing execution and adaptive learning within a single architecture, showing that tightly coupled intelligent components can outperform isolated solutions.