Xinhui Wu

Zujie Liang, Feng Wei, Wujiang Xu et al.

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work has introduced Monte Carlo Tree Search (MCTS) to address these issues, limitations persist in the quality and diversity of thoughts generated, as well as in the scalar value feedback mechanisms used for node selection. In this study, we introduce Introspective Monte Carlo Tree Search (I-MCTS), a novel approach that iteratively expands tree nodes through an introspective process that meticulously analyzes solutions and results from parent and sibling nodes. This facilitates a continuous refinement of the node in the search tree, thereby enhancing the overall decision-making process. Furthermore, we integrate a Large Language Model (LLM)-based value model to facilitate direct evaluation of each node's solution prior to conducting comprehensive computational rollouts. A hybrid rewarding mechanism is implemented to seamlessly transition the Q-value from LLM-estimated scores to actual performance scores. This allows higher-quality nodes to be traversed earlier. Applied to the various ML tasks, our approach demonstrates a 6% absolute improvement in performance compared to the strong open-source AutoML agents, showcasing its effectiveness in enhancing agentic AutoML systems. Resource available at https://github.com/jokieleung/I-MCTS

Hangyi Jia, Yuxi Qian, Hanwen Tong et al.

Recent advances in large language models (LLMs) have enabled the emergence of general-purpose agents for automating end-to-end machine learning (ML) workflows, including data analysis, feature engineering, model training, and competition solving. However, existing benchmarks remain limited in task coverage, domain diversity, difficulty modeling, and evaluation rigor, failing to capture the full capabilities of such agents in realistic settings. We present TAM Bench, a diverse, realistic, and structured benchmark for evaluating LLM-based agents on end-to-end ML tasks. TAM Bench features three key innovations: (1) A browser automation and LLM-based task acquisition system that automatically collects and structures ML challenges from platforms such as Kaggle, AIcrowd, and Biendata, spanning multiple task types and data modalities (e.g., tabular, text, image, graph, audio); (2) A leaderboard-driven difficulty modeling mechanism that estimates task complexity using participant counts and score dispersion, enabling scalable and objective task calibration; (3) A multi-dimensional evaluation framework incorporating performance, format compliance, constraint adherence, and task generalization. Based on 150 curated AutoML tasks, we construct three benchmark subsets of different sizes -- Lite, Medium, and Full -- designed for varying evaluation scenarios. The Lite version, with 18 tasks and balanced coverage across modalities and difficulty levels, serves as a practical testbed for daily benchmarking and comparative studies.