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In continuum topology optimization (TO), two essential procedures are involved: structural analysis through the solution of partial differential equations (PDEs) and the subsequent update of design variables. Both procedures can be…

Computational Engineering, Finance, and Science · Computer Science 2026-05-20 Junyuan Zhang , Jing Cao , Abdullah Dawar , Kun Cai , Qinghua Qin

We present a new framework for solving general topology optimization (TO) problems that find an optimal material distribution within a design space to maximize the performance of a structure while satisfying design constraints. These…

Numerical Analysis · Mathematics 2024-11-20 Zisheng Ye , Wenxiao Pan

To facilitate widespread adoption of automated engineering design techniques, existing methods must become more efficient and generalizable. In the field of topology optimization, this requires the coupling of modern optimization methods…

Computational Engineering, Finance, and Science · Computer Science 2024-02-23 Connor N. Mallon , Aaron W. Thornton , Matthew R. Hill , Santiago Badia

Physics-informed neural networks (PINNs) offer a mesh-free framework for solving partial differential equations (PDEs), yet training often suffers from gradient pathologies, spectral bias, and poor convergence, especially for problems with…

Machine Learning · Computer Science 2026-05-20 Jianan Yang , Yiran Wang , Shuai Li , Fujun Cao , Xuefei Yan , Junmin Liu

Traditional optimization-based techniques for time-synchronized state estimation (SE) often suffer from high online computational burden, limited phasor measurement unit (PMU) coverage, and presence of non-Gaussian measurement noise.…

Systems and Control · Electrical Eng. & Systems 2025-06-05 Shiva Moshtagh , Behrouz Azimian , Mohammad Golgol , Anamitra Pal

Gaussian processes (GPs) are widely used as surrogate models for complicated functions in scientific and engineering applications. In many cases, prior knowledge about the function to be approximated, such as monotonicity, is available and…

Machine Learning · Statistics 2025-07-10 Chao Zhang , Jasper M. Everink , Jakob Sauer Jørgensen

Gaussian Process (GPs) models are a rich distribution over functions with inductive biases controlled by a kernel function. Learning occurs through the optimisation of kernel hyperparameters using the marginal likelihood as the objective.…

Machine Learning · Statistics 2021-11-22 Fergus Simpson , Vidhi Lalchand , Carl Edward Rasmussen

In this work, we propose a novel framework for large-scale Gaussian process (GP) modeling. Contrary to the global, and local approximations proposed in the literature to address the computational bottleneck with exact GP modeling, we employ…

Machine Learning · Statistics 2023-12-19 Akhil Vakayil , Roshan Joseph

Adjoint-based optimization methods are attractive for aerodynamic shape design primarily due to their computational costs being independent of the dimensionality of the input space and their ability to generate high-fidelity gradients that…

Computational Physics · Physics 2020-08-18 S. Ashwin Renganathan , Romit Maulik and , Jai Ahuja

We present a global optimizer, based on a conditional generative neural network, which can output ensembles of highly efficient topology-optimized metasurfaces operating across a range of parameters. A key feature of the network is that it…

Machine Learning · Computer Science 2019-07-18 Jiaqi Jiang , Jonathan A. Fan

Dimensionality reduction represents a crucial step in extracting meaningful insights from Molecular Dynamics (MD) simulations. Conventional approaches, including linear methods such as principal component analysis as well as various…

Soft Condensed Matter · Physics 2025-10-10 Georg Diez , Nele Dethloff , Gerhard Stock

Bayesian optimization (BO) is a powerful framework for optimizing expensive black-box objectives, yet extending it to graph-structured domains remains challenging due to the discrete and combinatorial nature of graphs. Existing approaches…

Machine Learning · Computer Science 2025-11-12 Shu Hong , Yongsheng Mei , Mahdi Imani , Tian Lan

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical…

Machine Learning · Computer Science 2026-05-05 Paul Garnier , Vincent Lannelongue , Elie Hachem

Neural network training is commonly based on SGD. However, the understanding of SGD's ability to converge to good local minima, given the non-convex nature of loss functions and the intricate geometric characteristics of loss landscapes,…

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often…

Machine Learning · Computer Science 2023-10-24 Fabien Casenave , Brian Staber , Xavier Roynard

The growing demand for accurate, efficient, and scalable solutions in computational mechanics highlights the need for advanced operator learning algorithms that can efficiently handle large datasets while providing reliable uncertainty…

Machine Learning · Statistics 2024-09-18 Sawan Kumar , Rajdip Nayek , Souvik Chakraborty

We propose a direct mesh-free method for performing topology optimization by integrating a density field approximation neural network with a displacement field approximation neural network. We show that this direct integration approach can…

Computational Engineering, Finance, and Science · Computer Science 2023-09-26 Aditya Joglekar , Hongrui Chen , Levent Burak Kara

Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Shiguang Deng , Horacio D. Espinosa , Wei Chen

Accurate modeling of complex physical problems, such as fluid-structure interaction, requires multiphysics coupling across the interface, which often has intricate geometry and dynamic boundaries. Conventional numerical methods face…

Numerical Analysis · Mathematics 2023-08-08 Yunlong Li , Fei Wang

Distributed training of GNNs enables learning on massive graphs (e.g., social and e-commerce networks) that exceed the storage and computational capacity of a single machine. To reach performance comparable to centralized training,…

Machine Learning · Computer Science 2023-05-18 Jiong Zhu , Aishwarya Reganti , Edward Huang , Charles Dickens , Nikhil Rao , Karthik Subbian , Danai Koutra