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Learning complex multi-agent system dynamics from data is crucial across many domains, such as in physical simulations and material modeling. Extended from purely data-driven approaches, existing physics-informed approaches such as…

Machine Learning · Computer Science 2023-10-11 Zijie Huang , Wanjia Zhao , Jingdong Gao , Ziniu Hu , Xiao Luo , Yadi Cao , Yuanzhou Chen , Yizhou Sun , Wei Wang

Nonlinear parametric inverse problems appear in several prominent applications; one such application is Diffuse Optical Tomography (DOT) in medical image reconstruction. Such inverse problems present huge computational challenges, mostly…

Exascale computing holds great opportunities for molecular dynamics (MD) simulations. However, to take full advantage of the new possibilities, we must learn how to focus computational power on the discovery of complex molecular mechanisms,…

Chemical Physics · Physics 2019-01-16 Hendrik Jung , Roberto Covino , Gerhard Hummer

We study data-driven learning of robust stochastic control for infinite-horizon systems with potentially continuous state and action spaces. In many managerial settings--supply chains, finance, manufacturing, services, and dynamic…

Machine Learning · Statistics 2025-11-18 Shengbo Wang , Jason Meng , Nian Si , Jose Blanchet , Zhengyuan Zhou

In this paper, we obtain some preliminary results on stochastic control theory for time-varying linear systems both continuous and discrete, and further apply to aperiod sample-data linear systems. The Ito's lemma is utilized in this…

Systems and Control · Computer Science 2018-02-27 Chunhe Hu , Dan Wu , Junguo Zhang , Zongji Chen

Mechanical systems are often characterized only by their response to certain loads known from experiments or simulations. The obtained data can be used for various purposes: system analysis, design of mathematical models, or construction of…

Dynamical Systems · Mathematics 2026-01-05 Yevgeniya Filanova , Igor Pontes Duff , Pawan Goyal , Peter Benner

This paper presents a method for modeling transient fluid flow in subsurface reservoir systems based on the developed neural operator architecture (TFNO-opt). Reservoir systems are complex dynamic objects with distributed parameters…

Machine Learning · Computer Science 2025-10-21 Daniil D. Sirota , Sergey A. Khan , Sergey L. Kostikov , Kirill A. Butov

The study of operator learning involves the utilization of neural networks to approximate operators. Traditionally, the focus has been on single-operator learning (SOL). However, recent advances have rapidly expanded this to include the…

Machine Learning · Computer Science 2024-04-09 Zecheng Zhang

Large-scale first principles molecular dynamics are crucial for simulating complex processes in chemical, biomedical, and materials sciences. However, the unfavorable time complexity with respect to system sizes leads to prohibitive…

Many applications in mechanical, acoustic, and electronic engineering require estimating complex dynamical models, often represented as additive multi-input multi-output (MIMO) transfer functions with structural constraints. This paper…

Systems and Control · Electrical Eng. & Systems 2025-05-21 Rodrigo A. González , Maarten van der Hulst , Koen Classens , Tom Oomen

Molecular dynamics simulations are a cornerstone in science, allowing to investigate from the system's thermodynamics to analyse intricate molecular interactions. In general, to create extended molecular trajectories can be a…

Computational Physics · Physics 2022-06-22 Ludwig Winkler , Klaus-Robert Müller , Huziel E. Sauceda

Accurate channel impulse response (CIR) modeling in molecular communication (MC) often requires solving coupled reactive diffusion-advection equations, which is computationally expensive for large parameter sweeps or design loops. We…

Signal Processing · Electrical Eng. & Systems 2025-12-23 Meysam Ghanbari , Mohammad Taghi Dabiri , Mazen Hasna , Tanvir Alam , Khalid Qaraqe

Transfer and Koopman operator methods offer a framework for representing complex, nonlinear dynamical systems via linear transformations, enabling a deeper understanding of the underlying dynamics. The spectra of these operators provide…

Dynamical Systems · Mathematics 2026-03-25 Gary Froyland , Kevin Kühl

Existing methods for multi-modal time series representation learning aim to disentangle the modality-shared and modality-specific latent variables. Although achieving notable performances on downstream tasks, they usually assume an…

Machine Learning · Computer Science 2024-05-28 Ruichu Cai , Zhifang Jiang , Zijian Li , Weilin Chen , Xuexin Chen , Zhifeng Hao , Yifan Shen , Guangyi Chen , Kun Zhang

A critical bottleneck for scientific progress is the costly nature of computer simulations for complex systems. Surrogate models provide an appealing solution: such models are trained on simulator evaluations, then used to emulate and…

Machine Learning · Statistics 2025-07-14 Xinming Wang , Simon Mak , John Miller , Jianguo Wu

High-performance applications necessitate rapid and dependable transfer of massive datasets across geographically dispersed locations. Traditional file transfer tools often suffer from resource underutilization and instability because of…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-11 Rasman Mubtasim Swargo , Engin Arslan , Md Arifuzzaman

We formalize the problem of machine unlearning as design of efficient unlearning algorithms corresponding to learning algorithms which perform a selection of adaptive queries from structured query classes. We give efficient unlearning…

Machine Learning · Computer Science 2023-07-24 Enayat Ullah , Raman Arora

Task-free continual learning (CL) aims to learn a non-stationary data stream without explicit task definitions and not forget previous knowledge. The widely adopted memory replay approach could gradually become less effective for long data…

Machine Learning · Computer Science 2022-08-23 Zhenyi Wang , Li Shen , Le Fang , Qiuling Suo , Tiehang Duan , Mingchen Gao

Split learning is a privacy-preserving distributed learning paradigm in which an ML model (e.g., a neural network) is split into two parts (i.e., an encoder and a decoder). The encoder shares so-called latent representation, rather than raw…

Machine Learning · Computer Science 2023-09-07 Omar Alhussein , Moshi Wei , Arashmid Akhavain

This article presents an original methodology for the prediction of steady turbulent aerodynamic fields. Due to the important computational cost of high-fidelity aerodynamic simulations, a surrogate model is employed to cope with the…

Fluid Dynamics · Physics 2019-12-05 Romain Dupuis , Jean-Christophe Jouhaud , Pierre Sagaut