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We propose a deep neural network (DNN) as a fast surrogate model for local stress (and in principle strain) calculation in inhomogeneous non-linear material systems. We show that the DNN predicts the local stresses with about 3.8% mean…

Materials Science · Physics 2021-03-17 Jaber Rezaei Mianroodi , Nima H. Siboni , Dierk Raabe

Aging infrastructure portfolios pose a critical resource allocation challenge: deciding which structures require intervention and which can safely remain in service. Structural assessments must balance the trade-off between cheaper,…

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

Machine Learning · Computer Science 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

In recent years, various artificial intelligence-based surrogate models have been proposed to provide rapid manufacturability predictions of material forming processes. However, traditional AI-based surrogate models, typically built with…

Machine Learning · Computer Science 2025-07-17 Yingxue Zhao , Qianyi Chen , Haoran Li , Haosu Zhou , Hamid Reza Attar , Tobias Pfaff , Tailin Wu , Nan Li

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

Soft Condensed Matter · Physics 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier

Graph neural networks (GNNs) have been widely used in deep learning on graphs. They can learn effective node representations that achieve superior performances in graph analysis tasks such as node classification and node clustering.…

Machine Learning · Computer Science 2021-04-19 Jianxin Li , Hao Peng , Yuwei Cao , Yingtong Dou , Hekai Zhang , Philip S. Yu , Lifang He

Graph neural networks (GNNs) have emerged as the state of the art for a variety of graph-related tasks and have been widely used in Heterogeneous Graphs (HetGs), where meta-paths help encode specific semantics between various node types.…

Machine Learning · Computer Science 2025-02-25 Xuqi Mao , Zhenying He , X. Sean Wang

Operator-based neural network architectures such as DeepONets have emerged as a promising tool for the surrogate modeling of physical systems. In general, towards operator surrogate modeling, the training data is generated by solving the…

Machine Learning · Computer Science 2024-02-28 Shivam Choubey , Birupaksha Pal , Manish Agrawal

Boolean algebraic manipulation is at the core of logic synthesis in Electronic Design Automation (EDA) design flow. Existing methods struggle to fully exploit optimization opportunities, and often suffer from an explosive search space and…

Hardware Architecture · Computer Science 2024-01-22 Yingjie Li , Anthony Agnesina , Yanqing Zhang , Haoxing Ren , Cunxi Yu

This work addresses the accurate and efficient simulation of physical phenomena governed by parametric Partial Differential Equations (PDEs) characterized by varying boundary conditions, where parametric instances modify not only the…

Numerical Analysis · Mathematics 2026-03-10 Francesco Della Santa , Sandra Pieraccini , Maria Strazzullo

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

Machine Learning · Computer Science 2021-09-02 Nadhir Hassen , Irina Rish

Graph node embedding aims at learning a vector representation for all nodes given a graph. It is a central problem in many machine learning tasks (e.g., node classification, recommendation, community detection). The key problem in graph…

Machine Learning · Computer Science 2019-10-01 Shupeng Gui , Xiangliang Zhang , Pan Zhong , Shuang Qiu , Mingrui Wu , Jieping Ye , Zhengdao Wang , Ji Liu

Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…

Computational Physics · Physics 2022-05-18 James Duvall , Karthik Duraisamy , Shaowu Pan

Automotive engineering development increasingly relies on heterogeneous 3D data, including finite element (FE) models, body-in-white (BiW) representations, CAD geometry, and CFD meshes. At the same time, engineering teams face growing…

Rational design of next-generation functional materials relied on quantitative predictions of their electronic structures beyond single building blocks. First-principles quantum mechanical (QM) modeling became infeasible as the size of a…

Materials Science · Physics 2024-11-05 Siqi Chen , Zhiqiang Wang , Xianqi Deng , Yili Shen , Cheng-Wei Ju , Jun Yi , Lin Xiong , Guo Ling , Dieaa Alhmoud , Hui Guan , Zhou Lin

A Theory-guided Auto-Encoder (TgAE) framework is proposed for surrogate construction and is further used for uncertainty quantification and inverse modeling tasks. The framework is built based on the Auto-Encoder (or Encoder-Decoder)…

Machine Learning · Computer Science 2021-09-14 Nanzhe Wang , Haibin Chang , Dongxiao Zhang

Cooperative beamforming design has been recognized as an effective approach in modern wireless networks to meet the dramatically increasing demand of various wireless data traffics. It is formulated as an optimization problem in…

Networking and Internet Architecture · Computer Science 2022-12-16 Yunqi Wang , Yang Li , Qingjiang Shi , Yik-Chung Wu

Bayesian optimization (BO) has been widely used in machine learning and simulation optimization. With the increase in computational resources and storage capacities in these fields, high-dimensional and large-scale problems are becoming…

Machine Learning · Computer Science 2022-06-02 Haowei Wang , Ercong Zhang , Szu Hui Ng , Giulia Pedrielli

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…