English
Related papers

Related papers: Towards Fully Automated Molecular Simulations: Mul…

200 papers

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

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…

We introduce an autonomous multiagent framework for mechanistic interpretability that automates both explaining and finding internal features in large language models. The system runs two coupled loops: (1) explanation refinement, where an…

Computation and Language · Computer Science 2026-05-05 Arnau Marin-Llobet , Javier Ferrando

Recent advances in large language models (LLMs) have opened new avenues for applying multi-agent systems in very large-scale simulations. However, there remain several challenges when conducting multi-agent simulations with existing…

Multiagent Systems · Computer Science 2024-10-29 Xuchen Pan , Dawei Gao , Yuexiang Xie , Yushuo Chen , Zhewei Wei , Yaliang Li , Bolin Ding , Ji-Rong Wen , Jingren Zhou

As cosmological simulations and their associated software become increasingly complex, physicists face the challenge of searching through vast amounts of literature and user manuals to extract simulation parameters from dense academic…

Instrumentation and Methods for Astrophysics · Physics 2025-07-21 Xiaowen Zhang , Zhenyu Bi , Patrick Lachance , Xuan Wang , Tiziana Di Matteo , Rupert A. C. Croft

The Finite Element Method (FEM) is widely used in engineering and scientific computing, but its pre-processing, solver configuration, and post-processing stages are often time-consuming and require specialized knowledge. This paper proposes…

Machine Learning · Computer Science 2025-10-15 Tao Zhang , Zhenhai Liu , Yong Xin , Yongjun Jiao

Multi-agent simulations are versatile tools for exploring interactions among natural and artificial agents, but their development typically demands domain expertise and manual effort. This work introduces the Generative Agents for…

Artificial Intelligence · Computer Science 2025-05-30 Agnieszka Mensfelt , Kostas Stathis , Vince Trencsenyi

Existing LLM-enabled multi-agent frameworks are predominantly limited to digital or simulated environments and confined to narrowly focused knowledge domain, constraining their applicability to complex engineering tasks that require the…

Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work…

Multiagent Systems · Computer Science 2023-03-21 A. Gilad Kusne , Austin McDannald

Autoformalization serves a crucial role in connecting natural language and formal reasoning. This paper presents MASA, a novel framework for building multi-agent systems for autoformalization driven by Large Language Models (LLMs). MASA…

Computation and Language · Computer Science 2025-10-13 Lan Zhang , Marco Valentino , André Freitas

We present a solver-agnostic framework in which coordinated large language model (LLM) agents autonomously execute the complete computational mechanics workflow, from perceptual data of an engineering component through geometry extraction,…

Computational Engineering, Finance, and Science · Computer Science 2026-04-14 Daniel N. Wilke

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…

Computation and Language · Computer Science 2025-05-22 Jacob Kleiman , Kevin Frank , Joseph Voyles , Sindy Campagna

Since the advent of Large Language Models (LLMs), various research based on such models have maintained significant academic attention and impact, especially in AI and robotics. In this paper, we propose a multi-agent framework with LLMs to…

Robotics · Computer Science 2025-05-12 Junhong Chen , Ziqi Yang , Haoyuan G Xu , Dandan Zhang , George Mylonas

The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

Databases · Computer Science 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural…

Computation and Language · Computer Science 2025-10-08 Ziheng Geng , Jiachen Liu , Ran Cao , Lu Cheng , Haifeng Wang , Minghui Cheng

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction…

Artificial Intelligence · Computer Science 2025-10-22 Abhigya Verma , Seganrasan Subramanian , Nandhakumar Kandasamy , Naman Gupta

This article proposes a methodology to model and simulate complex systems, based on IRM4MLS, a generic agent-based meta-model able to deal with multi-level systems. This methodology permits the engineering of dynamic multi-level agent-based…

Multiagent Systems · Computer Science 2013-11-21 Jean-Baptiste Soyez , Gildas Morvan , Daniel Dupont , Rochdi Merzouki

Large Language Models (LLMs) have demonstrated the ability to solve a wide range of practical tasks within multi-agent systems. However, existing human-designed multi-agent frameworks are typically limited to a small set of pre-defined…

Artificial Intelligence · Computer Science 2025-07-31 Yaolun Zhang , Xiaogeng Liu , Chaowei Xiao
‹ Prev 1 2 3 10 Next ›