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Active researches are currently being performed to incorporate the wealth of scientific knowledge into data-driven approaches (e.g., neural networks) in order to improve the latter's effectiveness. In this study, the Theory-guided Neural…

Machine Learning · Computer Science 2020-03-03 Nanzhe Wang , Dongxiao Zhang , Haibin Chang , Heng Li

This work introduces a novel graph neural networks (GNNs)-based method to predict stream water temperature and reduce model bias across locations of different income and education levels. Traditional physics-based models often have limited…

Machine Learning · Computer Science 2024-12-24 Erhu He , Declan Kutscher , Yiqun Xie , Jacob Zwart , Zhe Jiang , Huaxiu Yao , Xiaowei Jia

Accurate prediction of permeability in porous media is essential for modeling subsurface flow. While pure data-driven models offer computational efficiency, they often lack generalization across scales and do not incorporate explicit…

Machine Learning · Computer Science 2025-09-18 Qingqi Zhao , Heng Xiao

In recent years, graph neural networks (GNNs) have been widely applied in tackling combinatorial optimization problems. However, existing methods still suffer from limited accuracy when addressing that on complex graphs and exhibit poor…

Machine Learning · Computer Science 2025-11-13 Yuyao Long

During the COVID-19 crisis, mechanistic models have guided evidence-based decision making. However, time-critical decisions in a dynamical environment limit the time available to gather supporting evidence. We address this bottleneck by…

Machine Learning · Computer Science 2026-01-15 Agatha Schmidt , Henrik Zunker , Alexander Heinlein , Martin J. Kühn

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem.…

Machine Learning · Computer Science 2023-07-20 Haoyu Han , Xiaorui Liu , Haitao Mao , MohamadAli Torkamani , Feng Shi , Victor Lee , Jiliang Tang

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

Tensor graph superoptimisation systems perform a sequence of subgraph substitution to neural networks, to find the optimal computation graph structure. Such a graph transformation process naturally falls into the framework of sequential…

Machine Learning · Computer Science 2023-05-01 Guoliang He , Sean Parker , Eiko Yoneki

Graph Neural Networks (GNNs) have emerged as powerful tools for various graph mining tasks, yet existing scalable solutions often struggle to balance execution efficiency with prediction accuracy. These difficulties stem from iterative…

Machine Learning · Computer Science 2026-04-02 Xu Cheng , Liang Yao , Feng He , Yukuo Cen , Yufei He , Chenhui Zhang , Wenzheng Feng , Hongyun Cai , Jie Tang

Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive…

The rapid development of deep learning has significant implications for the advancement of Computational Fluid Dynamics (CFD). Currently, most pixel-grid-based deep learning methods for flow field prediction exhibit significantly reduced…

Fluid Dynamics · Physics 2024-04-11 Tianyu Li , Shufan Zou , Xinghua Chang , Laiping Zhang , Xiaogang Deng

In this paper, we propose a deep learning based reduced order modeling method for stochastic underground flow problems in highly heterogeneous media. We aim to utilize supervised learning to build a reduced surrogate model from the…

Numerical Analysis · Mathematics 2022-07-27 Yiran Wang , Eric Chung , Shubin Fu

Graph Visualization, also known as Graph Drawing, aims to find geometric embeddings of graphs that optimize certain criteria. Stress is a widely used metric; stress is minimized when every pair of nodes is positioned at their shortest path…

Computational Geometry · Computer Science 2024-02-13 Florian Grötschla , Joël Mathys , Robert Veres , Roger Wattenhofer

Optimal power flow (OPF) has been used for real-time grid operations. Prior efforts demonstrated that utilizing flexibility from dynamic topologies will improve grid efficiency. However, this will convert the linear OPF into a mixed-integer…

Systems and Control · Electrical Eng. & Systems 2024-10-24 Thuan Pham , Xingpeng Li

Deep-learning has achieved good performance and shown great potential for solving forward and inverse problems. In this work, two categories of innovative deep-learning based inverse modeling methods are proposed and compared. The first…

Signal Processing · Electrical Eng. & Systems 2021-04-28 Nanzhe Wang , Haibin Chang , Dongxiao Zhang

We consider the use of probabilistic neural networks for fluid flow {surrogate modeling} and data recovery. This framework is constructed by assuming that the target variables are sampled from a Gaussian distribution conditioned on the…

Fluid Dynamics · Physics 2020-10-14 Romit Maulik , Kai Fukami , Nesar Ramachandra , Koji Fukagata , Kunihiko Taira

The recent rapid growth in mobile data traffic entails a pressing demand for improving the throughput of the underlying wireless communication networks. Network node deployment has been considered as an effective approach for throughput…

Networking and Internet Architecture · Computer Science 2022-09-16 Yifei Yang , Dongmian Zou , Xiaofan He

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

This study investigates the use of score-based generative models for reservoir simulation, with a focus on reconstructing spatially varying permeability and saturation fields in saline aquifers, inferred from sparse observations at two well…

Machine Learning · Computer Science 2025-04-10 Shiqin Zeng , Haoyun Li , Abhinav Prakash Gahlot , Felix J. Herrmann

Solving multiphysics-based inverse problems for geological carbon storage monitoring can be challenging when multimodal time-lapse data are expensive to collect and costly to simulate numerically. We overcome these challenges by combining…

Geophysics · Physics 2023-10-24 Ziyi Yin , Rafael Orozco , Mathias Louboutin , Felix J. Herrmann
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