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Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

We propose a formal design framework for synthesizing coordination and control policies for cooperative multi-agent systems to accomplish a global mission. The global performance requirements are specified as regular languages while…

Systems and Control · Computer Science 2017-07-19 Jin Dai , Alessandro Benini , Hai Lin , Panos J. Antsaklis , Matthew J. Rutherford , Kimon P. Valavanis

Latent reasoning has emerged as a promising paradigm for sequential recommendation, enabling models to capture complex user intent through multi-step deliberation. Yet existing approaches often rely on deterministic latent chains that…

Information Retrieval · Computer Science 2026-02-13 Jie Jiang , Yang Wu , Qian Li , Yuling Xiong , Yihang Su , Junbang Huo , Longfei Lu , Jun Zhang , Huan Yu

Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…

Materials Science · Physics 2017-05-01 Ruijin Cang , Yaopengxiao Xu , Shaohua Chen , Yongming Liu , Yang Jiao , Max Yi Ren

Synthesis prediction is a key accelerator for the rapid design of advanced materials. However, determining synthesis variables such as the choice of precursor materials is challenging for inorganic materials because the sequence of…

Materials Science · Physics 2023-06-13 Tanjin He , Haoyan Huo , Christopher J. Bartel , Zheren Wang , Kevin Cruse , Gerbrand Ceder

Multi-agent systems for resource allocation (MRAs) have been introduced as a concept for modelling competitive resource allocation problems in distributed computing. An MRA is composed of a set of agents and a set of resources. Each agent…

Multiagent Systems · Computer Science 2022-09-21 Nils Timm , Josua Botha

Generative models have achieved impressive fidelity in text-to-image synthesis, yet struggle with complex compositional prompts involving multiple constraints. We introduce \textbf{M3 (Multi-Modal, Multi-Agent, Multi-Round)}, a…

Computer Vision and Pattern Recognition · Computer Science 2026-02-09 Bangji Yang , Ruihan Guo , Jiajun Fan , Chaoran Cheng , Ge Liu

This paper presents a MATLAB toolbox for implementing robust-to-early termination model predictive control, abbreviated as REAP, which is designed to ensure a sub-optimal yet feasible solution when MPC computations are prematurely…

Optimization and Control · Mathematics 2025-07-02 Mohsen Amiri , Mehdi Hosseinzadeh

Although large language models (LLMs) have made significant strides across various tasks, they still face significant challenges in complex reasoning and planning. For example, even with carefully designed prompts and prior information…

Artificial Intelligence · Computer Science 2026-02-11 Xikai Zhang , Bo Wang , Likang Xiao , Yongzhi Li , Quan Chen , Wenjun Wu , Liu Liu

Topological materials occupy a frontier in condensed-matter physics thanks to their remarkable electronic and quantum properties, yet their cross-scale design remains bottlenecked by inefficient discovery workflows. Here, we introduce…

Materials Science · Physics 2025-07-08 Baohua Zhang , Xin Li , Huangchao Xu , Zhong Jin , Quansheng Wu , Ce Li

LLM-based agents have gained considerable attention for their decision-making skills and ability to handle complex tasks. Recognizing the current gap in leveraging agent capabilities for multi-agent collaboration in recommendation systems,…

Information Retrieval · Computer Science 2024-11-04 Zhefan Wang , Yuanqing Yu , Wendi Zheng , Weizhi Ma , Min Zhang

As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework…

Multiagent Systems · Computer Science 2026-05-12 Yang Shen , Zhenyi Yi , Ziyi Zhao , Lijun Sun , Dongyang Li , Chin-Teng Lin , Yuhui Shi

Creating high-quality materials in computer graphics is a challenging and time-consuming task, which requires great expertise. To simplify this process, we introduce MatFuse, a unified approach that harnesses the generative power of…

Computer Vision and Pattern Recognition · Computer Science 2024-11-18 Giuseppe Vecchio , Renato Sortino , Simone Palazzo , Concetto Spampinato

We present a framework for training trustworthy large language model (LLM) agents for optimization modeling via a verifiable synthetic data generation pipeline. Focusing on linear and mixed-integer linear programming, our approach begins…

Artificial Intelligence · Computer Science 2025-08-06 Vinicius Lima , Dzung T. Phan , Jayant Kalagnanam , Dhaval Patel , Nianjun Zhou

The exponential growth of scientific knowledge has made the automated generation of scientific hypotheses that combine novelty, feasibility, and research value a core challenge. Existing methods based on large language models fail to…

Artificial Intelligence · Computer Science 2025-08-05 Shiyang Duan , Yuan Tian , Qi Bing , Xiaowei Shao

While reasoning has become a central capability of large language models (LLMs), the reasoning patterns required for different scenarios are often misaligned. Mathematical reasoning typically relies on intrinsic logic to solve closed-world…

Artificial Intelligence · Computer Science 2026-05-12 Junjian Wang , Xin Zhou , Qiran Xu , Kun Zhan

Agentic AI has significantly extended the capabilities of large language models (LLMs) by enabling complex reasoning and tool use. However, most existing frameworks are tailored to domains such as mathematics, coding, or web automation, and…

Artificial Intelligence · Computer Science 2025-10-15 Md Hasebul Hasan , Mahir Labib Dihan , Tanzima Hashem , Mohammed Eunus Ali , Md Rizwan Parvez

We present an integrated multiagent AI ecosystem for polymer discovery that unifies high-throughput materials workflows, artificial intelligence, and computational modeling within a single Polymer Research Lifecycle (PRL) pipeline. The…

Soft Condensed Matter · Physics 2026-02-03 Mahule Roy , Adib Bazgir , Arthur da Silva Sousa Santos , Yuwen Zhang

The proliferation of large language models (LLMs) and their integration into multi-agent systems has paved the way for sophisticated automation in various domains. This paper introduces AutoGenesisAgent, a multi-agent system that…

Multiagent Systems · Computer Science 2024-04-29 Jeremy Harper

When managing wide-area networks, network architects must decide how to balance multiple conflicting metrics, and ensure fair allocations to competing traffic while prioritizing critical traffic. The state of practice poses challenges since…

Programming Languages · Computer Science 2022-07-05 Yanjun Wang , Zixuan Li , Chuan Jiang , Xiaokang Qiu , Sanjay G. Rao