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Recent advancements in AI agents have demonstrated their growing potential to drive and support scientific discovery. In this work, we introduce MLR-Bench, a comprehensive benchmark for evaluating AI agents on open-ended machine learning…

Machine Learning · Computer Science 2025-10-23 Hui Chen , Miao Xiong , Yujie Lu , Wei Han , Ailin Deng , Yufei He , Jiaying Wu , Yibo Li , Yue Liu , Bryan Hooi

Large language models (LLMs) have sparked growing interest in machine learning research agents that can autonomously propose ideas and conduct experiments. However, existing benchmarks predominantly adopt an engineering-oriented…

Computation and Language · Computer Science 2026-02-26 Qiran Zou , Hou Hei Lam , Wenhao Zhao , Yiming Tang , Tingting Chen , Samson Yu , Tianyi Zhang , Chang Liu , Xiangyang Ji , Dianbo Liu

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

Artificial intelligence agents are increasingly capable of performing complex tasks across various domains. As these agents advance, there is a growing need to accurately measure and benchmark their capabilities, particularly in…

Artificial Intelligence · Computer Science 2024-10-31 Matthew Kenney

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

We introduce Meta MLGym and MLGym-Bench, a new framework and benchmark for evaluating and developing LLM agents on AI research tasks. This is the first Gym environment for machine learning (ML) tasks, enabling research on reinforcement…

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap…

Computation and Language · Computer Science 2025-08-25 Weiwei Sun , Shengyu Feng , Shanda Li , Yiming Yang

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…

A central aspect of machine learning research is experimentation, the process of designing and running experiments, analyzing the results, and iterating towards some positive outcome (e.g., improving accuracy). Could agents driven by…

Machine Learning · Computer Science 2024-04-16 Qian Huang , Jian Vora , Percy Liang , Jure Leskovec

In this report, we present ML-Dev-Bench, a benchmark aimed at testing agentic capabilities on applied Machine Learning development tasks. While existing benchmarks focus on isolated coding tasks or Kaggle-style competitions, ML-Dev-Bench…

Software Engineering · Computer Science 2025-02-20 Harshith Padigela , Chintan Shah , Dinkar Juyal

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…

Computation and Language · Computer Science 2026-04-23 Nicholas Edwards , Yukyung Lee , Yujun Audrey Mao , Yulu Qin , Sebastian Schuster , Najoung Kim

Large Language Models (LLMs) show promise as data analysis agents, but existing benchmarks overlook the iterative nature of the field, where experts' decisions evolve with deeper insights of the dataset. To address this, we introduce…

Computation and Language · Computer Science 2025-06-09 Hanyu Li , Haoyu Liu , Tingyu Zhu , Tianyu Guo , Zeyu Zheng , Xiaotie Deng , Michael I. Jordan

The literature has witnessed an emerging interest in AI agents for automated assessment of scientific papers. Existing benchmarks focus primarily on the computational aspect of this task, testing agents' ability to reproduce or replicate…

Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is…

Large Language Models (LLMs) have shown remarkable capabilities as autonomous agents, yet existing benchmarks either focus on single-agent tasks or are confined to narrow domains, failing to capture the dynamics of multi-agent coordination…

Multiagent Systems · Computer Science 2025-03-05 Kunlun Zhu , Hongyi Du , Zhaochen Hong , Xiaocheng Yang , Shuyi Guo , Zhe Wang , Zhenhailong Wang , Cheng Qian , Xiangru Tang , Heng Ji , Jiaxuan You

Large Language Models (LLMs) have shown impressive performance on existing medical question-answering benchmarks. This high performance makes it increasingly difficult to meaningfully evaluate and differentiate advanced methods. We present…

Computation and Language · Computer Science 2025-03-21 Xiangru Tang , Daniel Shao , Jiwoong Sohn , Jiapeng Chen , Jiayi Zhang , Jinyu Xiang , Fang Wu , Yilun Zhao , Chenglin Wu , Wenqi Shi , Arman Cohan , Mark Gerstein

LLM-based reasoning models have enabled the development of agentic systems that act as co-scientists, assisting in multi-step scientific analysis. However, evaluating these systems is challenging, as it requires realistic, end-to-end…

Machine Learning · Computer Science 2026-02-24 Siba Smarak Panigrahi , Jovana Videnović , Maria Brbić

Large Language Models (LLMs) are becoming increasingly powerful and capable of handling complex tasks, e.g., building single agents and multi-agent systems. Compared to single agents, multi-agent systems have higher requirements for the…

Computation and Language · Computer Science 2024-08-29 Wei Wang , Dan Zhang , Tao Feng , Boyan Wang , Jie Tang

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…

Artificial Intelligence · Computer Science 2025-09-12 Hangyi Jia , Yuxi Qian , Hanwen Tong , Xinhui Wu , Lin Chen , Feng Wei

Large Language Models (LLMs) have shown remarkable capabilities in solving diverse tasks. However, their proficiency in iteratively optimizing complex solutions through learning from previous feedback remains insufficiently explored. To…

Artificial Intelligence · Computer Science 2025-06-13 Xiaozhe Li , Jixuan Chen , Xinyu Fang , Shengyuan Ding , Haodong Duan , Qingwen Liu , Kai Chen
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