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Existing LLM agents for computational materials science are constrained by pipeline-bounded architectures tied to specific simulation codes and by dependence on manually written tool functions that grow with task scope. We present MatClaw,…

Materials Science · Physics 2026-05-25 Chenmu Zhang , Boris I. Yakobson

Benchmarks play a crucial role in the development and analysis of reinforcement learning (RL) algorithms. We identify that existing benchmarks used for research into open-ended learning fall into one of two categories. Either they are too…

With the rapid advancement of agent-based methods in recent years, Agentic RAG has undoubtedly become an important research direction. Multi-hop reasoning, which requires models to engage in deliberate thinking and multi-step interaction,…

Computation and Language · Computer Science 2026-02-24 Qijie You , Wenkai Yu , Wentao Zhang

While GUI agents have shown impressive capabilities in common computer-use tasks such as OSWorld, current benchmarks mainly focus on isolated and single-application tasks. This overlooks a critical real-world requirement of coordinating…

Artificial Intelligence · Computer Science 2026-05-01 Jinchao Li , Yunxin Li , Chenrui Zhao , Zhenran Xu , Baotian Hu , Min Zhang

When multiple LLM-based code agents independently implement parts of the same class, they must agree on shared internal representations, even when the specification leaves those choices implicit. We study this coordination problem across 51…

Software Engineering · Computer Science 2026-03-26 Camilo Chacón Sartori

A central problem in the theory of multi-agent reinforcement learning (MARL) is to understand what structural conditions and algorithmic principles lead to sample-efficient learning guarantees, and how these considerations change as we move…

Machine Learning · Computer Science 2023-05-02 Dylan J. Foster , Dean P. Foster , Noah Golowich , Alexander Rakhlin

The evolution of Artificial Intelligence (AI) stands as a pivotal force shaping our society, finding applications across diverse domains such as education, sustainability, and safety. Leveraging AI within mobile applications makes it easily…

Software Engineering · Computer Science 2024-05-06 Jaida Gao , Calab Su , Etai Miller , Kevin Lu , Yu Meng

Some standardized environments have been designed for partially observable multi-agent cooperation, but we find most current environments are synchronous, whereas real-world agents often have their own action spaces leading to asynchrony.…

Multiagent Systems · Computer Science 2023-05-16 Meng Yao , Xueou Feng , Qiyue Yin

Agentic exploration, letting LLM-powered agents branch, backtrack, and search across many execution paths, demands systems support well beyond today's pass-at-k resets. Our benchmark of six snapshot/restore mechanisms shows that generic…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-08 Jiakai Xu , Tianle Zhou , Eugene Wu , Kostis Kaffes

Exploratory GUI testing is essential for software quality but suffers from high manual costs. While Multi-modal Large Language Model (MLLM) agents excel in navigation, they fail to autonomously discover defects due to two core challenges:…

Artificial Intelligence · Computer Science 2026-01-09 Yifei Gao , Jiang Wu , Xiaoyi Chen , Yifan Yang , Zhe Cui , Tianyi Ma , Jiaming Zhang , Jitao Sang

Although virtual agents are increasingly situated in environments where natural language is the most effective mode of interaction with humans, these exchanges are rarely used as an opportunity for learning. Leveraging language interactions…

Computation and Language · Computer Science 2021-07-21 Kaylee Burns , Christopher D. Manning , Li Fei-Fei

Large language models (LLMs) have transformed code generation, yet their application in hardware design produces gate counts 38\%--1075\% higher than human designs. We present CircuitMind, a multi-agent framework that achieves…

Hardware Architecture · Computer Science 2025-05-02 Haiyan Qin , Jiahao Feng , Xiaotong Feng , Wei W. Xing , Wang Kang

As many of us in the information retrieval (IR) research community know and appreciate, search is far from being a solved problem. Millions of people struggle with tasks on search engines every day. Often, their struggles relate to the…

Information Retrieval · Computer Science 2024-04-04 Ryen W. White

What if artificial agents could not just communicate, but also evolve, adapt, and reshape their worlds in ways we cannot fully predict? With llm now powering multi-agent systems and social simulations, we are witnessing new possibilities…

Multiagent Systems · Computer Science 2025-10-22 Jinkun Chen , Sher Badshah , Xuemin Yu , Sijia Han

The recent work by Shojaee et al. (2025), titled The Illusion of Thinking: Understanding the Strengths and Limitations of Reasoning Models via the Lens of Problem Complexity, presents a compelling empirical finding, a reasoning cliff, where…

Artificial Intelligence · Computer Science 2025-06-25 Sheraz Khan , Subha Madhavan , Kannan Natarajan

Multimodal Large Language Models (MLLMs) are evolving from passive observers into active agents, solving problems through Visual Expansion (invoking visual tools) and Knowledge Expansion (open-web search). However, existing evaluations fall…

Artificial Intelligence · Computer Science 2026-04-06 Qianshan Wei , Yishan Yang , Siyi Wang , Jinglin Chen , Binyu Wang , Jiaming Wang , Shuang Chen , Zechen Li , Yang Shi , Yuqi Tang , Weining Wang , Yi Yu , Chaoyou Fu , Qi Li , Yi-Fan Zhang

Research in developmental psychology consistently shows that children explore the world thoroughly and efficiently and that this exploration allows them to learn. In turn, this early learning supports more robust generalization and…

Artificial Intelligence · Computer Science 2020-07-02 Eliza Kosoy , Jasmine Collins , David M. Chan , Sandy Huang , Deepak Pathak , Pulkit Agrawal , John Canny , Alison Gopnik , Jessica B. Hamrick

Collaborative multi-agent exploration of unknown environments is crucial for search and rescue operations. Effective real-world deployment must address challenges such as limited inter-agent communication and static and dynamic obstacles.…

Robotics · Computer Science 2024-12-31 Gabriele Calzolari , Vidya Sumathy , Christoforos Kanellakis , George Nikolakopoulos

Bridging the gap between theoretical conceptualization and computational implementation is a major bottleneck in Scientific Computing (SciC) and Scientific Machine Learning (SciML). We introduce ATHENA (Agentic Team for Hierarchical…

Machine Learning · Computer Science 2026-05-11 Juan Diego Toscano , Daniel T. Chen , George Em Karniadakis

To widen their accessibility and increase their utility, intelligent agents must be able to learn complex behaviors as specified by (non-expert) human users. Moreover, they will need to learn these behaviors within a reasonable amount of…

Machine Learning · Computer Science 2019-02-13 Dilip Arumugam , Jun Ki Lee , Sophie Saskin , Michael L. Littman