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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

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

The field of machine learning (ML) has gained widespread adoption, leading to significant demand for adapting ML to specific scenarios, which is yet expensive and non-trivial. The predominant approaches towards the automation of solving ML…

Machine Learning · Computer Science 2024-02-20 Lei Zhang , Yuge Zhang , Kan Ren , Dongsheng Li , Yuqing Yang

Large language models (LLM) exhibit broad utility but face limitations in quantum sensor development, stemming from interdisciplinary knowledge barriers and involving complex optimization processes. Here we present QCopilot, an LLM-based…

Since the advent of Large Language Models (LLMs), various research based on such models have maintained significant academic attention and impact, especially in AI and robotics. In this paper, we propose a multi-agent framework with LLMs to…

Robotics · Computer Science 2025-05-12 Junhong Chen , Ziqi Yang , Haoyuan G Xu , Dandan Zhang , George Mylonas

Building self-improving AI systems remains a fundamental challenge in the AI domain. We present NNGPT, an open-source framework that turns a large language model (LLM) into a self-improving AutoML engine for neural network development,…

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Significantly simplifying the creation of optimization models for real-world business problems has long been a major goal in applying mathematical optimization more widely to important business and societal decisions. The recent…

Artificial Intelligence · Computer Science 2024-02-27 Segev Wasserkrug , Leonard Boussioux , Dick den Hertog , Farzaneh Mirzazadeh , Ilker Birbil , Jannis Kurtz , Donato Maragno

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the…

Software Engineering · Computer Science 2025-05-06 Shubham Gandhi , Dhruv Shah , Manasi Patwardhan , Lovekesh Vig , Gautam Shroff

Large language models (LLMs) show remarkable potential in scientific hypothesis discovery. However, existing approaches face two critical limitations: they treat divergent exploratory ideation and convergent fine-grained refinement as…

Computation and Language · Computer Science 2026-05-29 Hongran An , Zonglin Yang

Automatic code optimization remains a difficult challenge, particularly for complex loop nests on modern hardware. This paper investigates a novel approach to code optimization where Large Language Models (LLMs) guide the process through a…

Programming Languages · Computer Science 2025-12-30 Massinissa Merouani , Islem Kara Bernou , Riyadh Baghdadi

We introduce SIMCOPILOT, a benchmark that simulates the role of large language models (LLMs) as interactive, "copilot"-style coding assistants. Targeting both completion (finishing incomplete methods or code blocks) and infill tasks…

Machine Learning · Computer Science 2025-05-29 Mingchao Jiang , Abhinav Jain , Sophia Zorek , Chris Jermaine

The pace of scientific research, vital for improving human life, is complex, slow, and needs specialized expertise. Meanwhile, novel, impactful research often stems from both a deep understanding of prior work, and a cross-pollination of…

Computation and Language · Computer Science 2025-02-11 Jinheon Baek , Sujay Kumar Jauhar , Silviu Cucerzan , Sung Ju Hwang

We present \textbf{Deep Researcher Agent}, an open-source framework that enables large language model (LLM) agents to autonomously conduct deep learning experiments around the clock. Unlike existing AI research assistants that focus on…

Artificial Intelligence · Computer Science 2026-04-08 Xiangyue Zhang

We present a multi-agent system for automation of scientific research tasks, cmbagent (https://github.com/CMBAgents/cmbagent). The system is formed by about 30 Large Language Model (LLM) agents and implements a Planning & Control strategy…

In this work, we introduce Speech-Copilot, a modular framework for instruction-oriented speech-processing tasks that minimizes human effort in toolset construction. Unlike end-to-end methods using large audio-language models, Speech-Copilot…

Audio and Speech Processing · Electrical Eng. & Systems 2024-09-24 Chun-Yi Kuan , Chih-Kai Yang , Wei-Ping Huang , Ke-Han Lu , Hung-yi Lee

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

Large Language Models (LLMs) are increasingly being used as autonomous agents capable of performing complicated tasks. However, they lack the ability to perform reliable long-horizon planning on their own. This paper bridges this gap by…

Artificial Intelligence · Computer Science 2025-09-17 Yarin Benyamin , Argaman Mordoch , Shahaf S. Shperberg , Roni Stern

In this work, we investigate the potential of large language models (LLMs) based agents to automate data science tasks, with the goal of comprehending task requirements, then building and training the best-fit machine learning models.…

Machine Learning · Computer Science 2024-05-29 Siyuan Guo , Cheng Deng , Ying Wen , Hechang Chen , Yi Chang , Jun Wang
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