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Complex networks lend themselves to the modeling of multidimensional data, such as relational and/or temporal data. In particular, when such complex data and their inherent relationships need to be formalized, complex network modeling and…

Machine Learning · Computer Science 2021-05-13 Stefan Bloemheuvel , Jurgen van den Hoogen , Martin Atzmueller

Learning continuous-time dynamics on complex networks is crucial for understanding, predicting and controlling complex systems in science and engineering. However, this task is very challenging due to the combinatorial complexities in the…

Social and Information Networks · Computer Science 2020-06-19 Chengxi Zang , Fei Wang

Pressure and flow estimation in Water Distribution Networks (WDN) allows water management companies to optimize their control operations. For many years, mathematical simulation tools have been the most common approach to reconstructing an…

Machine Learning · Computer Science 2024-07-11 Huy Truong , Andrés Tello , Alexander Lazovik , Victoria Degeler

Soft tissue simulation in virtual environments is becoming increasingly important for medical applications. However, the high deformability of soft tissue poses significant challenges. Existing methods rely on segmentation, meshing and…

Machine Learning · Computer Science 2025-08-08 Madina Kojanazarova , Florentin Bieder , Robin Sandkühler , Philippe C. Cattin

Currently the state of the art network models are based or depend on Discrete Event Simulation (DES). While DES is highly accurate, it is also computationally costly and cumbersome to parallelize, making it unpractical to simulate high…

Networking and Internet Architecture · Computer Science 2023-10-19 Carlos Güemes-Palau , Miquel Ferriol Galmés , Albert Cabellos-Aparicio , Pere Barlet-Ros

Neurons exhibit intricate geometries within their neurite networks, which play a crucial role in processes such as signaling and nutrient transport. Accurate simulation of material transport in the networks is essential for understanding…

Machine Learning · Computer Science 2025-07-16 Tsung Yeh Hsieh , Yongjie Jessica Zhang

We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…

Machine Learning · Computer Science 2022-11-21 Krishna Kumar , Joseph Vantassel

Accurately simulating real world object dynamics is essential for various applications such as robotics, engineering, graphics, and design. To better capture complex real dynamics such as contact and friction, learned simulators based on…

Water distribution systems (WDSs) are an important part of critical infrastructure becoming increasingly significant in the face of climate change and urban population growth. We propose a robust and scalable surrogate deep learning (DL)…

Neural and Evolutionary Computing · Computer Science 2025-02-19 Inaam Ashraf , André Artelt , Barbara Hammer

The test-time optimization of scene flow - using a coordinate network as a neural prior - has gained popularity due to its simplicity, lack of dataset bias, and state-of-the-art performance. We observe, however, that although coordinate…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Kavisha Vidanapathirana , Shin-Fang Chng , Xueqian Li , Simon Lucey

Molecular dynamics (MD) simulation predicts the trajectory of atoms by solving Newton's equation of motion with a numeric integrator. Due to physical constraints, the time step of the integrator need to be small to maintain sufficient…

Computational Physics · Physics 2021-12-22 Tianze Zheng , Weihao Gao , Chong Wang

Feature-based image matching has extensive applications in computer vision. Keypoints detected in images can be naturally represented as graph structures, and Graph Neural Networks (GNNs) have been shown to outperform traditional deep…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Xianfeng Song , Yi Zou , Zheng Shi , Zheng Liu

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

Machine Learning · Computer Science 2025-09-26 Dibyajyoti Nayak , Somdatta Goswami

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelerating ab-initio MD simulation but are not fast enough for…

Machine Learning · Computer Science 2023-08-29 Xiang Fu , Tian Xie , Nathan J. Rebello , Bradley D. Olsen , Tommi Jaakkola

Many Graph Neural Network (GNN) training systems have emerged recently to support efficient GNN training. Since GNNs embody complex data dependencies between training samples, the training of GNNs should address distinct challenges…

Machine Learning · Computer Science 2024-03-21 Hao Yuan , Yajiong Liu , Yanfeng Zhang , Xin Ai , Qiange Wang , Chaoyi Chen , Yu Gu , Ge Yu

The last few years have seen an increasing wave of attacks with serious economic and privacy damages, which evinces the need for accurate Network Intrusion Detection Systems (NIDS). Recent works propose the use of Machine Learning (ML)…

Cryptography and Security · Computer Science 2021-08-02 David Pujol-Perich , José Suárez-Varela , Albert Cabellos-Aparicio , Pere Barlet-Ros

Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex…

Computational Engineering, Finance, and Science · Computer Science 2025-12-12 Pengwei Liu , Xingyu Ren , Pengkai Wang , Hangjie Yuan , Zhongkai Hao , Guanyu Chen , Chao Xu , Dong Ni , Shengze Cai

With the end of Moore's Law, there is a growing demand for rapid architectural innovations in modern processors, such as RISC-V custom extensions, to continue performance scaling. Program sampling is a crucial step in microprocessor design,…

Hardware Architecture · Computer Science 2023-04-19 Yuanwei Fang , Zihao Liu , Yanheng Lu , Jiawei Liu , Jiajie Li , Yi Jin , Jian Chen , Yenkuang Chen , Hongzhong Zheng , Yuan Xie

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu