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Related papers: DMF-TONN: Direct Mesh-free Topology Optimization u…

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The paper presents a novel, parameter free, density evaluation method for topology optimization based on normalized product of a scalar field. The approach imposes length scale on solid phase implicitly and allows for pure 0-1 singularity…

Mathematical Physics · Physics 2022-08-25 Nikhil Singh , Anupam Saxena

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

This paper presents a deep normal filtering network, called DNF-Net, for mesh denoising. To better capture local geometry, our network processes the mesh in terms of local patches extracted from the mesh. Overall, DNF-Net is an end-to-end…

Graphics · Computer Science 2020-06-30 Xianzhi Li , Ruihui Li , Lei Zhu , Chi-Wing Fu , Pheng-Ann Heng

Density functional theory (DFT) is an efficient instrument for describing a wide range of nanoscale phenomena: wetting transition, capillary condensation, adsorption, etc. In this paper, we suggest a method for obtaining the equilibrium…

Computational Physics · Physics 2021-06-18 Yuriy Kanygin , Irina Nesterova , Pavel Lomovitskiy , Aleksey Khlyupin

Optimal transmission switching (OTS) improves optimal power flow (OPF) by selectively opening transmission lines, but its mixed-integer formulation increases computational complexity, especially on large grids. To deal with this, we propose…

Systems and Control · Electrical Eng. & Systems 2025-07-24 Minsoo Kim , Jip Kim

Traditional methods for high-dimensional diffeomorphic mapping often struggle with the curse of dimensionality. We propose a mesh-free learning framework designed for $n$-dimensional mapping problems, seamlessly combining variational…

Machine Learning · Computer Science 2025-11-05 Zhiwen Li , Cheuk Hin Ho , Lok Ming Lui

Shape optimization has been playing an important role in a large variety of engineering applications. Existing shape optimization methods are generally mesh-dependent and therefore encounter challenges due to mesh deformation. To overcome…

Optimization and Control · Mathematics 2024-11-11 Xili Wang , Pengfei Yin , Bo Zhang , Chao Yang

Derivative-free optimization (DFO) consists in finding the best value of an objective function without relying on derivatives. To tackle such problems, one may build approximate derivatives, using for instance finite-difference estimates.…

Optimization and Control · Mathematics 2024-06-04 Clément W. Royer , Oumaima Sohab , Luis Nunes Vicente

This work presents a novel algorithm for progressively adapting neural network architecture along the depth. In particular, we attempt to address the following questions in a mathematically principled way: i) Where to add a new capacity…

Machine Learning · Computer Science 2026-03-03 C G Krishnanunni , Tan Bui-Thanh , Clint Dawson

We propose Alternating Phase-Field Fourier Neural Networks (APF-FNNs) as a unified and physics-based framework for topology optimization. The approach decouples the design problem by representing the state, adjoint, and topology fields with…

Optimization and Control · Mathematics 2026-01-27 Jing Li , Xindi Hu , Helin Gong , Wei Gong , Shengfeng Zhu

Deep neural networks (DNNs) have become indispensable in many real-life applications like natural language processing, and autonomous systems. However, deploying DNNs on resource-constrained devices, e.g., in RISC-V platforms, remains…

Machine Learning · Computer Science 2026-02-03 Theologos Anthimopoulos , Milad Kokhazadeh , Vasilios Kelefouras , Benjamin Himpel , Georgios Keramidas

Machine Learning (ML) approximations to Density Functional Theory (DFT) potential energy surfaces (PESs) are showing great promise for reducing the computational cost of accurate molecular simulations, but at present they are not applicable…

Chemical Physics · Physics 2020-03-05 Xiaowei Xie , Kristin A. Persson , David W. Small

This paper presents a deep learning-based de-homogenization method for structural compliance minimization. By using a convolutional neural network to parameterize the mapping from a set of lamination parameters on a coarse mesh to a…

Machine Learning · Computer Science 2021-11-03 Martin O. Elingaard , Niels Aage , J. Andreas Bærentzen , Ole Sigmund

Computational virtual high-throughput screening (VHTS) with density functional theory (DFT) and machine-learning (ML)-acceleration is essential in rapid materials discovery. By necessity, efficient DFT-based workflows are carried out with a…

Materials Science · Physics 2021-06-25 Chenru Duan , Shuxin Chen , Michael G. Taylor , Fang Liu , Heather J. Kulik

Calculating perturbation response properties of materials from first principles provides a vital link between theory and experiment, but is bottlenecked by the high computational cost. Here a general framework is proposed to perform density…

Computational Physics · Physics 2024-03-01 He Li , Zechen Tang , Jingheng Fu , Wen-Han Dong , Nianlong Zou , Xiaoxun Gong , Wenhui Duan , Yong Xu

Weight pruning is an effective model compression technique to tackle the challenges of achieving real-time deep neural network (DNN) inference on mobile devices. However, prior pruning schemes have limited application scenarios due to…

Machine Learning · Computer Science 2022-03-29 Yifan Gong , Geng Yuan , Zheng Zhan , Wei Niu , Zhengang Li , Pu Zhao , Yuxuan Cai , Sijia Liu , Bin Ren , Xue Lin , Xulong Tang , Yanzhi Wang

This paper proposes a deep Convolutional Neural Network(CNN) with strong generalization ability for structural topology optimization. The architecture of the neural network is made up of encoding and decoding parts, which provide down- and…

Machine Learning · Computer Science 2020-04-01 Yiquan Zhang , Bo Peng , Xiaoyi Zhou , Cheng Xiang , Dalei Wang

Gradient-free optimizers allow for tackling problems regardless of the smoothness or differentiability of their objective function, but they require many more iterations to converge when compared to gradient-based algorithms. This has made…

Machine Learning · Computer Science 2024-09-24 Gawel Kus , Miguel A. Bessa

Density functional theory (DFT) is probably the most promising approach for quantum chemistry calculations considering its good balance between calculations precision and speed. In recent years, several neural network-based functionals have…

Computational Physics · Physics 2025-01-22 Kirill Kulaev , Alexander Ryabov , Michael Medvedev , Evgeny Burnaev , Vladimir Vanovskiy

Optimal transmission switching (OTS) improves optimal power flow (OPF) by selectively opening transmission lines, but its mixed-integer formulation increases computational complexity, especially on large grids. To address this, we propose a…

Systems and Control · Electrical Eng. & Systems 2026-03-05 Minsoo Kim , Matthew Brun , Andy Sun , Jip Kim