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Automated characterization of porous materials has the potential to accelerate materials discovery, but it remains limited by the complexity of simulation setup and force field selection. We propose a multi-agent framework in which…

Artificial Intelligence · Computer Science 2025-09-15 Marko Petković , Vlado Menkovski , Sofía Calero

The automation of factories and manufacturing processes has been accelerating over the past few years, boosted by the Industry 4.0 paradigm, including diverse scenarios with mobile, flexible agents. Efficient coordination between mobile…

Robotics · Computer Science 2023-03-01 Federico Mason , Federico Chiariotti , Andrea Zanella , Petar Popovski

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

We introduce a multi-agent meta-modeling game to generate data, knowledge, and models that make predictions on constitutive responses of elasto-plastic materials. We introduce a new concept from graph theory where a modeler agent is tasked…

Machine Learning · Computer Science 2020-04-15 Kun Wang , WaiChing Sun , Qiang Du

Extracting the rules of real-world multi-agent behaviors is a current challenge in various scientific and engineering fields. Biological agents independently have limited observation and mechanical constraints; however, most of the…

Machine Learning · Computer Science 2023-12-04 Keisuke Fujii , Naoya Takeishi , Yoshinobu Kawahara , Kazuya Takeda

We consider stochastic model predictive control of a multi-agent systems with constraints on the probabilities of inter-agent collisions. We first study a sample-based approximation of the collision probabilities and use this approximation…

Systems and Control · Computer Science 2011-08-17 Daniel Lyons , Jan-P. Calliess , Uwe D. Hanebeck

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to…

As customer demand for multi-variety and small-batch production increases, dynamic disturbances place greater demands on manufacturing systems. To address such challenges, researchers proposed the multi-agent manufacturing system. However,…

Artificial Intelligence · Computer Science 2025-09-23 Zhen Zhao , Dunbing Tang , Changchun Liu , Liping Wang , Zequn Zhang , Haihua Zhu , Kai Chen , Qingwei Nie , Yuchen Ji

Three-parametric Lenard-Jones and Morse interatomic potentials are the simplest ones, which that can be used to obtain thermophysical properties of the liquid and solid substances. Upon adjusting the model parameters to real substance…

Materials Science · Physics 2022-09-29 A. A. Likhachev , Yu. N. Koval , T. G. Sych , V. A. Tatarenko

Discovering explicit physical laws has traditionally depended on human intuition and domain expertise. Recent advances in artificial intelligence, particularly large language models (LLMs), offer a new route to accelerate this process by…

Materials Science · Physics 2026-01-30 Bo Hu , Siyu Liu , Beilin Ye , Yun Hao , Yanhui Liu , Yang Lu , Ju Li , David J. Srolovitz , Tongqi Wen

Large language models (LLMs) have achieved remarkable performance in recent years but are fundamentally limited by the underlying training data. To improve models beyond the training data, recent works have explored how LLMs can be used to…

Computation and Language · Computer Science 2025-03-04 Vighnesh Subramaniam , Yilun Du , Joshua B. Tenenbaum , Antonio Torralba , Shuang Li , Igor Mordatch

Organization and coordination of agents within large-scale, complex, distributed environments is one of the primary challenges in the field of multi-agent systems. A lot of interest has surfaced recently around self-* (self-organizing,…

Artificial Intelligence · Computer Science 2007-05-23 Derek Messie , Jae C. Oh

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

We study the reduction of degrees of freedom for the equations that determine necessary optimality conditions for extrema in an optimal control problem for a multiagent system by exploiting the physical symmetries of agents, where the…

Optimization and Control · Mathematics 2020-11-25 Leonardo Colombo , Dimos V. Dimarogonas

In this paper, containment control of multi-agent systems with measurement noises is studied under directed networks. When the leaders are stationary, a stochastic approximation type protocol is employed to solve the containment control of…

Systems and Control · Computer Science 2014-05-20 Yuanshi Zheng , Tao Li , Long Wang

Multi-agent systems are increasingly widespread in a range of application domains, with optimization and learning underpinning many of the tasks that arise in this context. Different approaches have been proposed to enable the cooperative…

Optimization and Control · Mathematics 2025-09-04 Nicola Bastianello , Luca Schenato , Ruggero Carli

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Computation and Language · Computer Science 2025-01-14 Xiangru Tang , Tianyu Hu , Muyang Ye , Yanjun Shao , Xunjian Yin , Siru Ouyang , Wangchunshu Zhou , Pan Lu , Zhuosheng Zhang , Yilun Zhao , Arman Cohan , Mark Gerstein

Mechanical metamaterials, whose unique mechanical properties stem from their structural design rather than material constituents, are gaining popularity in engineering applications. In particular, recent advances in self-assembly techniques…

Applied Physics · Physics 2023-12-12 Hanxun Jin , Horacio D. Espinosa

To successfully tackle challenging manipulation tasks, autonomous agents must learn a diverse set of skills and how to combine them. Recently, self-supervised agents that set their own abstract goals by exploiting the discovered structure…

Machine Learning · Computer Science 2022-02-01 Andrii Zadaianchuk , Georg Martius , Fanny Yang

This work develops a fully decentralized multi-agent algorithm for policy evaluation. The proposed scheme can be applied to two distinct scenarios. In the first scenario, a collection of agents have distinct datasets gathered following…

Machine Learning · Computer Science 2019-08-13 Lucas Cassano , Kun Yuan , Ali H. Sayed