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Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a…

Large Language Model (LLM) Agents have demonstrated remarkable capabilities in task automation and intelligent decision-making, driving the widespread adoption of agent development frameworks such as LangChain and AutoGen. However, these…

Artificial Intelligence · Computer Science 2025-10-10 Jiabin Tang , Tianyu Fan , Chao Huang

Compound AI Systems (CAIS) are an emerging paradigm that integrates large language models (LLMs) with external components, including retrievers, agents, tools, and orchestrators, to overcome the limitations of standalone models in tasks…

Multiagent Systems · Computer Science 2026-05-11 Jiayi Chen , Junyi Ye , Guiling Wang

AI agents are beginning to interact with each other directly and across internet platforms and physical environments, creating security challenges beyond traditional cybersecurity and AI safety frameworks. Free-form protocols are essential…

The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…

Chemical Physics · Physics 2023-03-22 Zhilong Wang , Junfei Cai , An Chen , Yanqiang Han , Kehao Tao , Simin Ye , Shiwei Wang , Imran Ali , Jinjin Li

Agent development kits (ADKs) provide effective platforms and tooling for constructing agents, and their designs are critical to the constructed agents' performance, especially the functionality for agent topology, tools, and memory.…

We propose a technology-agnostic, collaboration-ready stance for Human-AI Agents Collaboration Systems (HAACS) that closes long-standing gaps in prior stages (automation; flexible autonomy; agentic multi-agent collectives). Reading…

Artificial Intelligence · Computer Science 2025-10-10 Ju Wu , Calvin K. L. Or

The rapid emergence of multi-agent AI systems (MAS), including LangChain, CrewAI, and AutoGen, has shaped how large language model (LLM) applications are developed and orchestrated. However, little is known about how these systems evolve…

Software Engineering · Computer Science 2026-01-13 Daniel Liu , Krishna Upadhyay , Vinaik Chhetri , A. B. Siddique , Umar Farooq

Large language models (LLMs) have empowered AI agents to tackle increasingly complex tasks. However, most existing agents remain limited to static planning and brittle interactions, falling short of true collaboration or adaptive reasoning.…

Artificial Intelligence · Computer Science 2025-10-14 William Nguyen , Vinh Luong , Christopher Nguyen

As large language models (LLM)-driven agents transition from isolated task solvers to persistent digital entities, the emergence of the Agentic Web, an ecosystem where heterogeneous agents autonomously interact and co-evolve, marks a…

Large language models are redefining software engineering by implementing AI-powered techniques throughout the whole software development process, including requirement gathering, software architecture, code generation, testing, and…

Software Engineering · Computer Science 2024-06-11 Malik Abdul Sami , Muhammad Waseem , Zeeshan Rasheed , Mika Saari , Kari Systä , Pekka Abrahamsson

This position paper aims to rethink the role and design of memory in Large Language Model (LLM)-based agent systems. We observe that while current memory practices have begun to transcend the limitations of single interactions, they remain…

Human-Computer Interaction · Computer Science 2025-07-01 Haichang Li

Multi-agent artificial intelligence systems or MAS are systems of autonomous agents that exercise delegated tool authority, share persistent memory, and coordinate via inter-agent communication. MAS introduces qualitatively distinct…

Cryptography and Security · Computer Science 2026-04-28 Tam Nguyen , Moses Ndebugre , Dheeraj Arremsetty

This paper provides a global picture about the deployment of networked processing services for genomic data sets. Many current research make an extensive use genomic data, which are massive and rapidly increasing over time. They are…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-09-27 Gianluca Reali , Mauro Femminella , Emilia Nunzi , Dario Valocchi

Designing inorganic crystalline materials with tailored properties is critical to technological innovation, yet current generative computational methods often struggle to efficiently explore desired targets with sufficient interpretability.…

Materials Science · Physics 2025-12-29 Izumi Takahara , Teruyasu Mizoguchi , Bang Liu

Agentic AI applications increasingly rely on multiple agents with distinct roles, specialized tools, and access to memory layers to solve complex tasks -- closely resembling service-oriented architectures. Yet, in the rapid evolving…

Software Engineering · Computer Science 2025-10-15 Alessandro Cornacchia , Vaastav Anand , Muhammad Bilal , Zafar Qazi , Marco Canini

Conventional machine learning approaches accelerate inorganic materials design via accurate property prediction and targeted material generation, yet they operate as single-shot models limited by the latent knowledge baked into their…

Materials Science · Physics 2025-08-06 Alireza Ghafarollahi , Markus J. Buehler

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. Driven by the growing need for standardized evaluation and integration, we…

Artificial Intelligence · Computer Science 2026-03-10 Mohamed Amine Ferrag , Norbert Tihanyi , Merouane Debbah

As future tasks in networked systems are increasingly relying on collaborative execution among distributed devices, trust has become an essential tool for securing both reliable collaborators and task-specific resources. However, the…

Systems and Control · Electrical Eng. & Systems 2026-04-09 Botao Zhu , Xianbin Wang

Multi-agent systems (MAS) extend large language models (LLMs) from independent single-model reasoning to coordinative system-level intelligence. While existing LLM agents depend on text-based mediation for reasoning and communication, we…

Computation and Language · Computer Science 2025-12-09 Jiaru Zou , Xiyuan Yang , Ruizhong Qiu , Gaotang Li , Katherine Tieu , Pan Lu , Ke Shen , Hanghang Tong , Yejin Choi , Jingrui He , James Zou , Mengdi Wang , Ling Yang