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Large language models (LLMs) are being widely applied across various fields, but as tasks become more complex, evaluating their responses is increasingly challenging. Compared to human evaluators, the use of LLMs to support performance…

Artificial Intelligence · Computer Science 2025-04-25 Yuran Li , Jama Hussein Mohamud , Chongren Sun , Di Wu , Benoit Boulet

Agents based on large language models (LLMs) for machine learning engineering (MLE) can automatically implement ML models via code generation. However, existing approaches to build such agents often rely heavily on inherent LLM knowledge…

Machine Learning · Computer Science 2025-08-29 Jaehyun Nam , Jinsung Yoon , Jiefeng Chen , Jinwoo Shin , Sercan Ö. Arık , Tomas Pfister

Large Language Models (LLMs) often produce answers with a single chain-of-thought, which restricts their ability to explore reasoning paths or self-correct flawed outputs in complex tasks. In this paper, we introduce MALT (Multi-Agent LLM…

With the demand for machine learning increasing, so does the demand for tools which make it easier to use. Automated machine learning (AutoML) tools have been developed to address this need, such as the Tree-Based Pipeline Optimization Tool…

Neural and Evolutionary Computing · Computer Science 2018-03-13 Pieter Gijsbers , Joaquin Vanschoren , Randal S. Olson

Retrieval-augmented generation (RAG) systems face a fundamental challenge in aligning independently developed retrievers and large language models (LLMs). Existing approaches typically involve modifying either component or introducing…

Computation and Language · Computer Science 2025-05-23 Guoxin Chen , Minpeng Liao , Peiying Yu , Dingmin Wang , Zile Qiao , Chao Yang , Xin Zhao , Kai Fan

Multi-agent systems (MAS) powered by Large Language Models (LLMs) have been demonstrated to push the boundaries of LLM capabilities, yet they often incur significant costs and face challenges in dynamic LLM selection. Current LLM routing…

Machine Learning · Computer Science 2025-02-18 Yanwei Yue , Guibin Zhang , Boyang Liu , Guancheng Wan , Kun Wang , Dawei Cheng , Yiyan Qi

Agentic reinforcement learning has advanced large language models (LLMs) to reason through long chain-of-thought trajectories while interleaving external tool use. Existing approaches assume a fixed inventory of tools, limiting LLM agents'…

Computation and Language · Computer Science 2025-12-16 Jiaru Zou , Ling Yang , Yunzhe Qi , Sirui Chen , Mengting Ai , Ke Shen , Jingrui He , Mengdi Wang

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

During job recruitment, traditional applicant selection methods often lack transparency. Candidates are rarely given sufficient justifications for recruiting decisions, whether they are made manually by human recruiters or through the use…

Computers and Society · Computer Science 2025-05-28 Aditya Bhattacharya , Katrien Verbert

The performance of large language models (LLMs) depends on how they are prompted, with choices spanning both the high-level prompting pattern (e.g., Zero-Shot, CoT, ReAct, ReWOO) and the specific prompt content (instructions and few-shot…

Machine Learning · Computer Science 2025-11-05 Claudio Spiess , Mandana Vaziri , Louis Mandel , Martin Hirzel

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory…

Artificial Intelligence · Computer Science 2026-05-28 Shanghua Gao , Ada Fang , Marinka Zitnik

We introduce TimeSeriesGym, a scalable benchmarking framework for evaluating Artificial Intelligence (AI) agents on time series machine learning engineering challenges. Existing benchmarks lack scalability, focus narrowly on model building…

Machine Learning · Computer Science 2025-05-20 Yifu Cai , Xinyu Li , Mononito Goswami , Michał Wiliński , Gus Welter , Artur Dubrawski

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

Large Language Model (LLM) based multi-agent systems (MAS) have shown promise in tackling complex tasks, but often rely on predefined roles and centralized coordination, limiting their adaptability to evolving challenges. This paper…

Artificial Intelligence · Computer Science 2025-09-04 Siyuan Lu , Jiaqi Shao , Bing Luo , Tao Lin

Large language model (LLM)-based agents are increasingly used to perform complex, multi-step workflows in regulated settings such as compliance and due diligence. However, many agentic architectures rely primarily on prompt engineering of a…

Artificial Intelligence · Computer Science 2026-02-03 Ananya Joshi , Michael Rudow

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents…

The technical foundations of recommender systems have progressed from collaborative filtering to complex neural models and, more recently, large language models. Despite these technological advances, deployed systems often underserve their…

Information Retrieval · Computer Science 2026-03-10 Kesha Ou , Chenghao Wu , Xiaolei Wang , Bowen Zheng , Wayne Xin Zhao , Weitao Li , Long Zhang , Sheng Chen , Ji-Rong Wen

Automated essay scoring (AES) systems increasingly rely on large language models, yet little is known about how architectural choices shape their performance across different essay quality levels. This paper evaluates single-agent and…

Computation and Language · Computer Science 2026-02-02 Jamiu Adekunle Idowu , Ahmed Almasoud

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
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