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In many scientific fields, the generation and evolution of data are governed by partial differential equations (PDEs) which are typically informed by established physical laws at the macroscopic level to describe general and predictable…

Methodology · Statistics 2025-07-01 Ziyuan Chen , Shunxing Yan , Fang Yao

The study of system complexity primarily has two objectives: to explore underlying patterns and to develop theoretical explanations. Pattern exploration seeks to clarify the mechanisms behind the emergence of system complexity, while…

Multiagent Systems · Computer Science 2026-02-18 Xiao Xue , Deyu Zhou , Ming Zhang , Xiangning Yu , Fei-Yue Wang

Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when…

Materials Science · Physics 2026-05-27 Penghui Yang , Zhonghan Zhang , Yue Li , Xinrun Wag , Yanchen Deng , Yuhao Lu , Bijun Tang , Zheng Liu , Bo An

We use parsimonious diffusion maps (PDMs) to discover the latent dynamics of high-fidelity Navier-Stokes simulations with a focus on the 2D fluidic pinball problem. By varying the Reynolds number, different flow regimes emerge, ranging from…

Fluid Dynamics · Physics 2024-11-05 Alessandro Della Pia , Dimitris Patsatzis , Lucia Russo , Constantinos Siettos

The integration of Large Language Models (LLMs) into scientific discovery is currently hindered by the Implicit Context problem, where governing equations extracted from literature contain invisible thermodynamic assumptions (e.g.,…

Databases · Computer Science 2026-03-11 Yue Wua , Tianhao Su , Rui Hu , Mingchuan Zhao , Shunbo Hu , Deng Pan , Jizhong Huang

Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software,…

Biomolecules · Quantitative Biology 2026-03-03 Qihua Pan , Dong Xu , Qianwei Yang , Jenna Xinyi Yao , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

This work advances autonomous robot exploration by integrating agent-level semantic reasoning with fast local control. We introduce FARE, a hierarchical autonomous exploration framework that integrates a large language model (LLM) for…

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

Although Federated Learning (FL) promises privacy and distributed collaboration, its effectiveness in real-world scenarios is often hampered by the stochastic heterogeneity of clients and unpredictable system dynamics. Existing static…

Multiagent Systems · Computer Science 2026-04-07 Rafael O. Jarczewski , Gabriel U. Talasso , Leandro Villas , Allan M. de Souza

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs.…

Machine Learning · Computer Science 2025-06-10 Guibin Zhang , Luyang Niu , Junfeng Fang , Kun Wang , Lei Bai , Xiang Wang

Mathematical models describing the spatial spreading and invasion of populations of biological cells are often developed in a continuum modelling framework using reaction-diffusion equations. While continuum models based on linear diffusion…

Cellular Automata and Lattice Gases · Physics 2024-01-23 Matthew J Simpson , Keeley M Murphy , Scott W McCue , Pascal R Buenzli

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

We consider the challenge of developing agents that efficiently interact with high-dimensional, evolving environments, towards a view of practical reinforcement learning (RL) agents interacting with open worlds, of which they witness and…

Machine Learning · Computer Science 2026-05-26 Shruti Mishra , Michael Chang , Vamsi Spandan , Shmuel M. Rubinstein

Corpus linguistics has traditionally relied on human researchers to formulate hypotheses, construct queries, and interpret results - a process demanding specialized technical skills and considerable time. We propose Agent-Driven Corpus…

Computation and Language · Computer Science 2026-04-09 Jia Yu , Weiwei Yu , Pengfei Xiao , Fukun Xing

Human cognition excels at transcending sensory input and forming latent representations that structure our understanding of the world. While Large Language Model (LLM) agents demonstrate emergent reasoning and decision-making abilities,…

Machine Learning · Computer Science 2026-01-22 Hengguan Huang , Xing Shen , Songtao Wang , Lingfa Meng , Dianbo Liu , David Alejandro Duchene , Hao Wang , Samir Bhatt

Computational fluid dynamics (CFD) has been the main workhorse of computational physics. Yet its steep learning curve and fragmented, multi-stage workflow create significant barriers. To address these challenges, we present Foam-Agent, a…

Artificial Intelligence · Computer Science 2026-03-06 Ling Yue , Nithin Somasekharan , Tingwen Zhang , Yadi Cao , Zhangze Chen , Shimin Di , Shaowu Pan

Discovering the governing equations of dynamical systems is a central problem across many scientific disciplines. As experimental data become increasingly available, automated equation discovery methods offer a promising data-driven…

Machine Learning · Computer Science 2026-04-07 Amirmohammad Ziaei Bideh , Jonathan Gryak

Modelling complex physical systems through partial differential equations (PDEs) is central to many disciplines in science and engineering. Yet in most real applications, unknown or incomplete relationships such as constitutive or thermal…

Computational Engineering, Finance, and Science · Computer Science 2026-01-08 Ado Farsi , Nacime Bouziani , David A Ham

Physically-inspired latent force models offer an interpretable alternative to purely data driven tools for inference in dynamical systems. They carry the structure of differential equations and the flexibility of Gaussian processes,…

Machine Learning · Computer Science 2022-01-25 Jacob D. Moss , Felix L. Opolka , Bianca Dumitrascu , Pietro Lió

Generative models have achieved remarkable progress with the emergence of flow matching (FM). It has demonstrated strong generative capabilities and attracted significant attention as a simulation-free flow-based framework capable of…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Huynh Trinh Ngoc , Hoang Anh Nguyen Kim , Toan Nguyen Hai , Long Tran Quoc
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