Large Language Models for Constructing and Optimizing Machine Learning Workflows: A Survey
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Abstract (arXiv)
Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of Large Language Models (LLMs) into ML workflows has shown great potential for automating and enhancing various stages of the ML pipeline. This survey provides a comprehensive and up-to-date review of recent advancements in using LLMs to construct and optimize ML workflows, focusing on key components encompassing data and feature engineering, model selection and hyperparameter optimization, and workflow evaluation. We discuss both the advantages and limitations of LLM-driven approaches, emphasizing their capacity to streamline and enhance ML workflow modeling process through language understanding, reasoning, interaction, and generation. Finally, we highlight open challenges and propose future research directions to advance the effective application of LLMs in ML workflows.
Key facts. Cited by 19 papers in the map (data through 14 Oct 2026). Builds on 93 of its 134 references that are in the map. First posted on arXiv 11 Nov 2024.
Builds on
93 of 134 references.
References · 93
- 2017Attention Is All You Needcited by 60,361
- 2023GPT-4 Technical Reportcited by 18,396
- 2021LoRA: Low-Rank Adaptation of Large Language Modelscited by 14,380
- 2023LLaMA: Open and Efficient Foundation Language Modelscited by 14,132
- 2022Chain-of-Thought Prompting Elicits Reasoning in Large Language Modelscited by 12,459
- 2021On the Opportunities and Risks of Foundation Modelscited by 4,033
- 2023Tree of Thoughts: Deliberate Problem Solving with Large Language Modelscited by 3,211
- 2023A Survey of Large Language Modelscited by 2,576
- 2023A Survey on Large Language Model based Autonomous Agentscited by 2,242
- 2023A Survey on Hallucination in Large Language Models: Principles, Taxonomy, Challenges, and Open Questionscited by 1,601
- 2023The Rise and Potential of Large Language Model Based Agents: A Surveycited by 1,439
- 2023HuggingGPT: Solving AI Tasks with ChatGPT and its Friends in Hugging Facecited by 1,190
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- 2023PaLM 2 Technical Reportcited by 1,162
- 2017Learning Transferable Architectures for Scalable Image Recognitioncited by 1,101
- 2024OpenHands: An Open Platform for AI Software Developers as Generalist Agentscited by 1,002
- 2023Graph of Thoughts: Solving Elaborate Problems with Large Language Modelscited by 886
- 2023ExpeL: LLM Agents Are Experiential Learnerscited by 876
- 2023Multimodal Chain-of-Thought Reasoning in Language Modelscited by 752
- 2022TabPFN: A Transformer That Solves Small Tabular Classification Problems in a Secondcited by 674
- 2023Unifying Large Language Models and Knowledge Graphs: A Roadmapcited by 668
- 2023Bias and Fairness in Large Language Models: A Surveycited by 639
- 2024Executable Code Actions Elicit Better LLM Agentscited by 564
- 2024Large Language Models: A Surveycited by 525
- 2023Large Language Models Are Zero-Shot Time Series Forecasterscited by 500
- 2024MLE-bench: Evaluating Machine Learning Agents on Machine Learning Engineeringcited by 469
- 2024A Survey on RAG Meeting LLMs: Towards Retrieval-Augmented Large Language Modelscited by 452
- 2024A Systematic Survey of Prompt Engineering in Large Language Models: Techniques and Applicationscited by 431
- 2019AutoML: A Survey of the State-of-the-Artcited by 390
- 2023A Survey on Large Language Model (LLM) Security and Privacy: The Good, the Bad, and the Uglycited by 387
- 2023MLAgentBench: Evaluating Language Agents on Machine Learning Experimentationcited by 366
- 2024LongRoPE: Extending LLM Context Window Beyond 2 Million Tokenscited by 313
- 2023ToolQA: A Dataset for LLM Question Answering with External Toolscited by 274
- 2018Metrics for Explainable AI: Challenges and Prospectscited by 260
- 2020Neural Architecture Search without Trainingcited by 244
- 2023Large Language Model as Attributed Training Data Generator: A Tale of Diversity and Biascited by 232
- 2024Data Interpreter: An LLM Agent For Data Sciencecited by 225
- 2020Auto-Sklearn 2.0: Hands-free AutoML via Meta-Learningcited by 174
- 2022GitHub Copilot AI pair programmer: Asset or Liability?cited by 152
- 2024Nemotron-4 340B Technical Reportcited by 144
- 2024Large Language Models to Enhance Bayesian Optimizationcited by 135
- 2023How well do Large Language Models perform in Arithmetic tasks?cited by 130
- 2023Large Language Models for Automated Data Science: Introducing CAAFE for Context-Aware Automated Feature Engineeringcited by 127
- 2023BLIVA: A Simple Multimodal LLM for Better Handling of Text-Rich Visual Questionscited by 125
- 2024DS-Agent: Automated Data Science by Empowering Large Language Models with Case-Based Reasoningcited by 125
- 2021HPOBench: A Collection of Reproducible Multi-Fidelity Benchmark Problems for HPOcited by 112
- 2024The Dawn After the Dark: An Empirical Study on Factuality Hallucination in Large Language Modelscited by 88
- 2024AutoML-Agent: A Multi-Agent LLM Framework for Full-Pipeline AutoMLcited by 87
- 2023AutoML-GPT: Automatic Machine Learning with GPTcited by 81
- 2024Beyond the Limits: A Survey of Techniques to Extend the Context Length in Large Language Modelscited by 76
- 2024Differentially Private Synthetic Data via Foundation Model APIs 2: Textcited by 76
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Citing papers per year: 2025: 8; 2026: 11.
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- 2025Empowering AI to Generate Better AI Code: Guided Generation of Deep Learning Projects with LLMscited by 2
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- 2026ADEMA: A Knowledge-State Orchestration Architecture for Long-Horizon Knowledge Synthesis with LLMAgentscited by 1
- 2026OmniPlan: An Adaptive Framework for Timely and Near-Optimal Network Planning Optimizationcited by 1
- 2026CoFEH: LLM-driven Feature Engineering Empowered by Collaborative Bayesian Hyperparameter Optimizationcited by 0
- 2026Lazy or Efficient? Towards Accessible Eye-Tracking Event Detection Using LLMscited by 0
- 2026Automatic Causal Fairness Analysis with LLM-Generated Reportingcited by 0
- 2026Large Language Models for Automated Cross-Domain Machine Learning Task Type Identification: A Benchmark Dataset and Evaluationcited by 0
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- 2026OmniPlan: An Adaptive Framework for Timely and Near-Optimal Network Planning Optimization16 Jun 2026
- 2026Automatic Causal Fairness Analysis with LLM-Generated Reporting29 Apr 2026
- 2026ADEMA: A Knowledge-State Orchestration Architecture for Long-Horizon Knowledge Synthesis with LLMAgents28 Apr 2026
- 2026Lazy or Efficient? Towards Accessible Eye-Tracking Event Detection Using LLMs14 Apr 2026
- 2026CoFEH: LLM-driven Feature Engineering Empowered by Collaborative Bayesian Hyperparameter Optimization10 Feb 2026
- 2025AI Scientists Fail Without Strong Implementation Capability2 Jun 2025
- 2025AutoReproduce: Automatic AI Experiment Reproduction with Paper Lineage27 May 2025
- 2025A Blueprint for AI-Driven Software Quality: Integrating LLMs with Established Standards19 May 2025
- 2025Empowering AI to Generate Better AI Code: Guided Generation of Deep Learning Projects with LLMs21 Apr 2025