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AI research agents are demonstrating great potential to accelerate scientific progress by automating the design, implementation, and training of machine learning models. We focus on methods for improving agents' performance on MLE-bench, a…

Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on…

Artificial Intelligence · Computer Science 2025-10-10 Shangheng Du , Xiangchao Yan , Dengyang Jiang , Jiakang Yuan , Yusong Hu , Xin Li , Liang He , Bo Zhang , Lei Bai

We introduce MLE-bench, a benchmark for measuring how well AI agents perform at machine learning engineering. To this end, we curate 75 ML engineering-related competitions from Kaggle, creating a diverse set of challenging tasks that test…

Large Language Models (LLMs) are reshaping recommender systems by leveraging extensive world knowledge and semantic reasoning to interpret user intent. However, effectively integrating these capabilities with collaborative signals while…

Information Retrieval · Computer Science 2026-02-13 Yang Wu , Haoze Wang , Qian Li , Jun Zhang , Huan Yu , Jie Jiang

Large language models (LLMs) offer significant promise as a knowledge source for task learning. Prompt engineering has been shown to be effective for eliciting knowledge from an LLM, but alone it is insufficient for acquiring relevant,…

Artificial Intelligence · Computer Science 2024-02-21 James R. Kirk , Robert E. Wray , Peter Lindes , John E. Laird

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents…

Artificial Intelligence · Computer Science 2024-10-23 Yizhou Chi , Yizhang Lin , Sirui Hong , Duyi Pan , Yaying Fei , Guanghao Mei , Bangbang Liu , Tianqi Pang , Jacky Kwok , Ceyao Zhang , Bang Liu , Chenglin Wu

Recent advances in AI and ML have transformed data science, yet increasing complexity and expertise requirements continue to hinder progress. Although crowd-sourcing platforms alleviate some challenges, high-level machine learning…

Large language model (LLM) agents show promise in automating machine learning (ML) engineering. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where…

Artificial Intelligence · Computer Science 2026-03-02 Sijie Li , Weiwei Sun , Shanda Li , Ameet Talwalkar , Yiming Yang

Recent progress in large language models (LLMs) offers promising new approaches for recommendation system tasks. While the current state-of-the-art methods rely on fine-tuning LLMs to achieve optimal results, this process is costly and…

Information Retrieval · Computer Science 2025-02-21 Dong-Ho Lee , Adam Kraft , Long Jin , Nikhil Mehta , Taibai Xu , Lichan Hong , Ed H. Chi , Xinyang Yi

LLM-based agents for machine learning engineering (MLE) predominantly rely on tree search, a form of gradient-free optimization that uses scalar validation scores to rank candidates. As LLM reasoning capabilities improve, exhaustive…

Machine Learning · Computer Science 2026-04-14 Yifei Zhang , Xu Yang , Xiao Yang , Bowen Xian , Qizheng Li , Shikai Fang , Jingyuan Li , Jian Wang , Mingrui Xu , Weiqing Liu , Jiang Bian

The emergence of large language model (LLM)-based agents has significantly advanced the development of autonomous machine learning (ML) engineering. However, the dominant prompt-based paradigm exhibits limitations: smaller models lack the…

Computation and Language · Computer Science 2026-05-04 Zexi Liu , Jingyi Chai , Xinyu Zhu , Shuo Tang , Rui Ye , Bo Zhang , Lei Bai , Siheng Chen

The efficacy of large language models (LLMs) on downstream tasks usually hinges on instruction tuning, which relies critically on the quality of training data. Unfortunately, collecting high-quality and diverse data is both expensive and…

Computation and Language · Computer Science 2024-11-25 Hang Zhou , Yehui Tang , Haochen Qin , Yujie Yang , Renren Jin , Deyi Xiong , Kai Han , Yunhe Wang

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical…

Artificial Intelligence · Computer Science 2025-05-21 Fan Liu , Zherui Yang , Cancheng Liu , Tianrui Song , Xiaofeng Gao , Hao Liu

Existing machine learning engineering (MLE) agents struggle to iteratively optimize their implemented algorithms for effectiveness. To address this, we introduce MLE-Ideator, a dual-agent framework that separates ideation from…

Computation and Language · Computer Science 2026-01-27 Yunxiang Zhang , Kang Zhou , Zhichao Xu , Kiran Ramnath , Yun Zhou , Sangmin Woo , Haibo Ding , Lin Lee Cheong

A critical bottleneck in automating AI research is the execution of complex machine learning engineering (MLE) tasks. MLE differs from general software engineering due to computationally expensive evaluation (e.g., model training) and…

Artificial Intelligence · Computer Science 2026-05-21 Jiefeng Chen , Bhavana Dalvi Mishra , Jaehyun Nam , Rui Meng , Tomas Pfister , Jinsung Yoon

While Language Models (LMs) have made significant progress in automating machine learning engineering (MLE), the acquisition of high-quality MLE training data is significantly constrained. Current MLE benchmarks suffer from low scalability…

Machine Learning · Computer Science 2025-10-09 Rushi Qiang , Yuchen Zhuang , Anikait Singh , Percy Liang , Chao Zhang , Sherry Yang , Bo Dai

Large Language Models (LLM) are increasingly being explored for problem-solving tasks. However, their strategic planning capability is often viewed with skepticism. Recent studies have incorporated the Monte Carlo Tree Search (MCTS)…

Artificial Intelligence · Computer Science 2025-02-05 Bingzheng Gan , Yufan Zhao , Tianyi Zhang , Jing Huang , Yusu Li , Shu Xian Teo , Changwang Zhang , Wei Shi

The development of autonomous machine learning (ML) agents capable of end-to-end data science workflows represents a significant frontier in artificial intelligence. These agents must orchestrate complex sequences of data analysis, feature…

Machine Learning · Computer Science 2026-02-24 Yaswanth Chittepu , Raghavendra Addanki , Tung Mai , Anup Rao , Branislav Kveton

Large Language Model (LLM) agents have demonstrated remarkable proficiency in learned tasks, yet they often struggle to adapt to non-stationary environments with feedback. While In-Context Learning and external memory offer some…

Artificial Intelligence · Computer Science 2026-03-05 Lu Yang , Zelai Xu , Minyang Xie , Jiaxuan Gao , Zhao Shok , Yu Wang , Yi Wu

We propose a novel approach for training large language models (LLMs) to adhere to objectives defined within a latent embedding space. Our method leverages reinforcement learning (RL), treating a pre-trained LLM as an environment. Our…

Computation and Language · Computer Science 2024-10-29 Guy Tennenholtz , Yinlam Chow , Chih-Wei Hsu , Lior Shani , Ethan Liang , Craig Boutilier
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