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Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new…

Many material response functions depend strongly on microstructure, such as inhomogeneities in phase or orientation. Homogenization presents the task of predicting the mean response of a sample of the microstructure to external loading for…

Machine Learning · Computer Science 2022-10-04 Reese Jones , Cosmin Safta , Ari Frankel

We identify the restricted class of attainable effective deformations in a model of reinforced composites with parallel, long, and fully rigid fibers embedded in an elastic body. In mathematical terms, we characterize the weak limits of…

Analysis of PDEs · Mathematics 2021-05-11 Dominik Engl , Carolin Kreisbeck , Antonella Ritorto

The aerodynamic optimization process of cars requires multiple iterations between aerodynamicists and stylists. Response Surface Modeling and Reduced-Order Modeling are commonly used to eliminate the overhead due to Computational Fluid…

Computational Engineering, Finance, and Science · Computer Science 2022-05-26 Sam Jacob Jacob , Markus Mrosek , Carsten Othmer , Harald Köstler

Existing convolution techniques in artificial neural networks suffer from huge computation complexity, while the biological neural network works in a much more powerful yet efficient way. Inspired by the biological plasticity of dendritic…

Computer Vision and Pattern Recognition · Computer Science 2023-01-16 Rongzhen Zhao , Zhenzhi Wu , Qikun Zhang

This work develops a unified framework for inferring, representing, and statistically characterizing an anisotropic strength surface directly from molecular dynamics data. Large-scale tensile loading simulations are used to generate failure…

Materials Science · Physics 2026-02-19 Alexander Bonacci , John Dolbow , Johann Guilleminot

Textures in images can often be well modeled using self-similar processes while they may at the same time display anisotropy. The present contribution thus aims at studying jointly selfsimilarity and anisotropy by focusing on a specific…

Data Analysis, Statistics and Probability · Physics 2015-06-16 S. G. Roux , M. Clausel , B. Vedel , S. Jaffard , P. Abry

Deep learning has exhibited superior performance for various tasks, especially for high-dimensional datasets, such as images. To understand this property, we investigate the approximation and estimation ability of deep learning on…

Machine Learning · Statistics 2021-10-01 Taiji Suzuki , Atsushi Nitanda

Graph representation learning in Euclidean space, despite its widespread adoption and proven utility in many domains, often struggles to effectively capture the inherent hierarchical and complex relational structures prevalent in real-world…

Machine Learning · Computer Science 2025-08-26 Menglin Yang , Min Zhou , Tong Zhang , Jiahong Liu , Zhihao Li , Lujia Pan , Hui Xiong , Irwin King

Graph Representation Learning (GRL) can be fundamentally modeled as a physical process of seeking an energy equilibrium state for a node system on a latent manifold. However, existing Graph Neural Networks (GNNs) often suffer from…

Machine Learning · Computer Science 2026-04-08 Rui Chen , Junjun Guo , Hongbin Wang , Yan Xiang , Yantuan Xian , Zhengtao Yu

The correlation matrix is a central representation of functional brain networks in neuroimaging. Traditional analyses often treat pairwise interactions independently in a Euclidean setting, overlooking the intrinsic geometry of correlation…

Machine Learning · Statistics 2025-04-10 Kisung You , Yelim Lee , Hae-Jeong Park

This research uses deep learning to estimate the topology of manifolds represented by sparse, unordered point cloud scenes in 3D. A new labelled dataset was synthesised to train neural networks and evaluate their ability to estimate the…

Computer Vision and Pattern Recognition · Computer Science 2023-10-02 Dylan Peek , Matt P. Skerritt , Stephan Chalup

Supervised manifold learning methods learn data representations by preserving the geometric structure of data while enhancing the separation between data samples from different classes. In this work, we propose a theoretical study of…

Machine Learning · Computer Science 2018-01-08 Elif Vural , Christine Guillemot

Active area of research in AI is the theory of manifold learning and finding lower-dimensional manifold representation on how we can learn geometry from data for providing better quality curated datasets. There are however various issues…

Machine Learning · Computer Science 2024-10-16 Liubov Tupikina , Kathuria Hritika

Graph-structured data are widespread in real-world applications, such as social networks, recommender systems, knowledge graphs, chemical molecules etc. Despite the success of Euclidean space for graph-related learning tasks, its ability to…

Machine Learning · Computer Science 2022-11-09 Min Zhou , Menglin Yang , Lujia Pan , Irwin King

We present a theoretically well-founded deep learning algorithm for nonparametric regression. It uses over-parametrized deep neural networks with logistic activation function, which are fitted to the given data via gradient descent. We…

Statistics Theory · Mathematics 2025-04-14 Michael Kohler , Adam Krzyzak

Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we…

Machine Learning · Computer Science 2019-10-30 Qi Liu , Maximilian Nickel , Douwe Kiela

Backward compatible representation learning enables updated models to integrate seamlessly with existing ones, avoiding to reprocess stored data. Despite recent advances, existing compatibility approaches in Euclidean space neglect the…

Machine Learning · Computer Science 2025-06-09 Ngoc Bui , Menglin Yang , Runjin Chen , Leonardo Neves , Mingxuan Ju , Rex Ying , Neil Shah , Tong Zhao

In this paper we presented a novel constructive approach for training deep neural networks using geometric approaches. We show that a topological covering can be used to define a class of distributed linear matrix inequalities, which in…

Machine Learning · Computer Science 2019-01-10 W. Brent Daniel , Enoch Yeung