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LLM agents increasingly perform end-to-end ML engineering tasks where success is judged by a single scalar test metric. This creates a structural vulnerability: an agent can increase the reported score by compromising the evaluation…

Artificial Intelligence · Computer Science 2026-03-13 Yonas Atinafu , Robin Cohen

Large language model (LLM) multi-agent systems can scale along two distinct dimensions: by increasing the number of agents and by improving through accumulated experience over time. Although prior work has studied these dimensions…

Multiagent Systems · Computer Science 2026-04-07 Shanglin Wu , Yuyang Luo , Yueqing Liang , Kaiwen Shi , Yanfang Ye , Ali Payani , Kai Shu

Recent advances in agentic AI have shifted the focus from standalone Large Language Models (LLMs) to integrated systems that combine LLMs with tools, memory, and other agents to perform complex tasks. These multi-agent architectures enable…

Multiagent Systems · Computer Science 2025-12-17 Sreemaee Akshathala , Bassam Adnan , Mahisha Ramesh , Karthik Vaidhyanathan , Basil Muhammed , Kannan Parthasarathy

Developing autonomous LLM agents capable of making a series of intelligent decisions to solve complex, real-world tasks is a fast-evolving frontier. Like human cognitive development, agents are expected to acquire knowledge and skills…

We introduce MLE-Dojo, a Gym-style framework for systematically reinforcement learning, evaluating, and improving autonomous large language model (LLM) agents in iterative machine learning engineering (MLE) workflows. Unlike existing…

Recent advances in large language models (LLMs) have enabled agentic systems that translate natural language intent into executable scientific visualization (SciVis) tasks. Despite rapid progress, the community lacks a principled and…

Recent advances in large language models (LLMs) have increased the demand for comprehensive benchmarks to evaluate their capabilities as human-like agents. Existing benchmarks, while useful, often focus on specific application scenarios,…

We introduce MLRC-Bench, a benchmark designed to quantify how effectively language agents can tackle challenging Machine Learning (ML) Research Competitions, with a focus on open research problems that demand novel methodologies. Unlike…

Large language models (LLMs) have advanced conversational AI assistants. However, systematically evaluating how well these assistants apply personalization--adapting to individual user preferences while completing tasks--remains…

Computation and Language · Computer Science 2025-06-12 Zheng Zhao , Clara Vania , Subhradeep Kayal , Naila Khan , Shay B. Cohen , Emine Yilmaz

The growth of Large Language Model (LLM) technology has raised expectations for automated coding. However, software engineering is more than coding and is concerned with activities including maintenance and evolution of a project. In this…

Software Engineering · Computer Science 2025-12-09 Leonhard Applis , Yuntong Zhang , Shanchao Liang , Nan Jiang , Lin Tan , Abhik Roychoudhury

In the age of large language models (LLMs), autonomous agents have emerged as a powerful paradigm for achieving general intelligence. These agents dynamically leverage tools, memory, and reasoning capabilities to accomplish user-defined…

Artificial Intelligence · Computer Science 2025-08-05 Chaojia Yu , Zihan Cheng , Hanwen Cui , Yishuo Gao , Zexu Luo , Yijin Wang , Hangbin Zheng , Yong Zhao

Evaluating Large Language Models (LLMs) is one of the most critical aspects of building a performant compound AI system. Since the output from LLMs propagate to downstream steps, identifying LLM errors is crucial to system performance. A…

This paper explores the potential of a multidisciplinary approach to testing and aligning artificial intelligence (AI), specifically focusing on large language models (LLMs). Due to the rapid development and wide application of LLMs,…

Computers and Society · Computer Science 2025-01-07 Ljubisa Bojic , Matteo Cinelli , Dubravko Culibrk , Boris Delibasic

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 Model (LLM) agents are increasingly applied to engineering design tasks, yet existing evaluation frameworks do not adequately address multi-agent systems that combine simulation, retrieval, and manufacturing preparation. We…

Artificial Intelligence · Computer Science 2026-05-28 Gioele Molinari , Florian Felten , Soheyl Massoudi , Mark Fuge

The promise of AI-driven scientific discovery hinges on whether AI agents can autonomously design and execute the computational workflows that underpin modern science. Molecular dynamics (MD) simulation presents a natural test bed to…

Artificial Intelligence · Computer Science 2026-05-12 Vinay Kumar , Satyendra Rajput , Mausam , N. M. Anoop Krishnan

Large language models (LLMs) demonstrate strong potential as agents for tool invocation due to their advanced comprehension and planning capabilities. Users increasingly rely on LLM-based agents to solve complex missions through iterative…

Artificial Intelligence · Computer Science 2025-04-17 Peijie Yu , Yifan Yang , Jinjian Li , Zelong Zhang , Haorui Wang , Xiao Feng , Feng Zhang

Benchmarks for large language models (LLMs) have progressed from snippet-level function generation to repository-level issue resolution, yet they overwhelmingly target implementation correctness. Software architecture tasks remain…

Software Engineering · Computer Science 2026-03-19 Bassam Adnan , Aviral Gupta , Sreemaee Akshathala , Karthik Vaidhyanathan

Benchmarks are essential for unified evaluation and reproducibility. The rapid rise of Artificial Intelligence for Software Engineering (AI4SE) has produced numerous benchmarks for tasks such as code generation and bug repair. However, this…

Software Engineering · Computer Science 2025-12-15 Roham Koohestani , Philippe de Bekker , Begüm Koç , Maliheh Izadi

Benchmarks are the de facto standard for tracking progress in large language models (LLMs), yet static test sets can rapidly saturate, become vulnerable to contamination, and are costly to refresh. Scalable evaluation of open-ended items…

Computation and Language · Computer Science 2026-03-24 Yandan Zheng , Haoran Luo , Zhenghong Lin , Wenjin Liu , Luu Anh Tuan
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