Can We Predict Before Executing Machine Learning Agents?

Autonomous machine learning agents have revolutionized scientific discovery, yet they remain constrained by a Generate-Execute-Feedback paradigm. Previous approaches suffer from a severe Execution Bottleneck, as hypothesis evaluation relies strictly on expensive physical execution. To bypass these physical constraints, we internalize execution priors to substitute costly runtime checks with instantaneous predictive reasoning, drawing inspiration from World Models. In this work, we formalize the task of Data-centric Solution Preference and construct a comprehensive corpus of 18,438 pairwise comparisons. We demonstrate that LLMs exhibit significant predictive capabilities when primed with a Verified Data Analysis Report, achieving 61.5% accuracy and robust confidence calibration. Finally, we instantiate this framework in FOREAGENT, an agent that employs a Predict-then-Verify loop, achieving a 6x acceleration in convergence while surpassing execution-based baselines by +6%. Our code and dataset will be publicly available soon at https://github.com/zjunlp/predict-before-execute.

AutoMind: Adaptive Knowledgeable Agent for Automated Data Science

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.

VideoCoT: A Video Chain-of-Thought Dataset with Active Annotation Tool

Multimodal large language models (MLLMs) are flourishing, but mainly focus on images with less attention than videos, especially in sub-fields such as prompt engineering, video chain-of-thought (CoT), and instruction tuning on videos. Therefore, we try to explore the collection of CoT datasets in videos to lead to video OpenQA and improve the reasoning ability of MLLMs. Unfortunately, making such video CoT datasets is not an easy task. Given that human annotation is too cumbersome and expensive, while machine-generated is not reliable due to the hallucination issue, we develop an automatic annotation tool that combines machine and human experts, under the active learning paradigm. Active learning is an interactive strategy between the model and human experts, in this way, the workload of human labeling can be reduced and the quality of the dataset can be guaranteed. With the help of the automatic annotation tool, we strive to contribute three datasets, namely VideoCoT, TopicQA, TopicCoT. Furthermore, we propose a simple but effective benchmark based on the collected datasets, which exploits CoT to maximize the complex reasoning capabilities of MLLMs. Extensive experiments demonstrate the effectiveness our solution.