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Mathematical descriptions of dynamical systems are deeply rooted in topological spaces defined by non-Euclidean geometry. This paper proposes leveraging structure-rich geometric spaces for machine learning to achieve structural…

Machine Learning · Computer Science 2025-02-20 Zack Xuereb Conti , David J Wagg , Nick Pepper

In the era of foundation models and Large Language Models (LLMs), Euclidean space has been the de facto geometric setting for machine learning architectures. However, recent literature has demonstrated that this choice comes with…

Machine Learning · Computer Science 2025-11-26 Neil He , Jiahong Liu , Buze Zhang , Ngoc Bui , Ali Maatouk , Menglin Yang , Irwin King , Melanie Weber , Rex Ying

Physics-informed neural networks (PINNs), owing to their mesh-free nature, offer a powerful approach for solving high-dimensional partial differential equations (PDEs) in complex geometries, including irregular domains. This capability…

Numerical Analysis · Mathematics 2025-06-06 Hanfei Zhou , Lei Shi

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are…

Machine Learning · Computer Science 2023-03-08 Zhongkai Hao , Songming Liu , Yichi Zhang , Chengyang Ying , Yao Feng , Hang Su , Jun Zhu

This paper presents a novel non-linear model reduction method: Probabilistic Manifold Decomposition (PMD), which provides a powerful framework for constructing non-intrusive reduced-order models (ROMs) by embedding a high-dimensional system…

Numerical Analysis · Mathematics 2026-01-09 Jiaming Guo , Dunhui Xiao

We propose to incorporate Riemannian geometric features from the geometry of aircraft wing surfaces in the prediction of coefficient of pressure (CP) on the aircraft wing. Contrary to existing approaches that treat the wing surface as a…

Machine Learning · Computer Science 2024-11-07 Liwei Hu , Wenyong Wang , Yu Xiang , Stefan Sommer

In image set classification, a considerable advance has been made by modeling the original image sets by second order statistics or linear subspace, which typically lie on the Riemannian manifold. Specifically, they are Symmetric Positive…

Computer Vision and Pattern Recognition · Computer Science 2018-05-31 Rui Wang , Xiao-Jun Wu , Kai-Xuan Chen , Josef Kittler

Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to…

Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitations due to simplified representations of the physical…

Machine Learning · Computer Science 2020-09-15 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan S Read , Jacob A Zwart , Michael Steinbach , Vipin Kumar

Real-world graphs naturally exhibit hierarchical or cyclical structures that are unfit for the typical Euclidean space. While there exist graph neural networks that leverage hyperbolic or spherical spaces to learn representations that embed…

Machine Learning · Computer Science 2023-09-11 Sungjun Cho , Seunghyuk Cho , Sungwoo Park , Hankook Lee , Honglak Lee , Moontae Lee

Many high-dimensional practical data sets have hierarchical structures induced by graphs or time series. Such data sets are hard to process in Euclidean spaces and one often seeks low-dimensional embeddings in other space forms to perform…

Machine Learning · Computer Science 2022-04-13 Chao Pan , Eli Chien , Puoya Tabaghi , Jianhao Peng , Olgica Milenkovic

Riemannian manifolds provide a principled way to model nonlinear geometric structure inherent in data. A Riemannian metric on said manifolds determines geometry-aware shortest paths and provides the means to define statistical models…

Machine Learning · Computer Science 2021-06-11 Christian Fröhlich , Alexandra Gessner , Philipp Hennig , Bernhard Schölkopf , Georgios Arvanitidis

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational…

The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet…

Chemical Physics · Physics 2016-11-23 Bing Huang , O. Anatole von Lilienfeld

This paper introduces a machine learning approach to take a nonlinear differential-equation model that exhibits qualitative agreement with a physical experiment over a range of parameter values and produce a hybrid model that also exhibits…

Dynamical Systems · Mathematics 2022-08-24 K. H. Lee , D. A. W. Barton , L. Renson

Deep learning has had tremendous success at learning low-dimensional representations of high-dimensional data. This success would be impossible if there was no hidden low-dimensional structure in data of interest; this existence is posited…

High-performance machine learning tools in particle physics rest on two complementary directions: encoding symmetries explicitly in the architecture, and implicitly learning the structure of the data through large-scale (pre-) training. We…

High Energy Physics - Phenomenology · Physics 2026-03-23 Victor Breso-Pla , Kevin Greif , Vinicius Mikuni , Benjamin Nachman , Tilman Plehn , Tanvi Wamorkar , Daniel Whiteson

In this work, we develop new generalization bounds for neural networks trained on data supported on Riemannian manifolds. Existing generalization theories often rely on complexity measures derived from Euclidean geometry, which fail to…

Machine Learning · Computer Science 2025-07-08 Krisanu Sarkar

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

We derive relations between theoretical properties of restricted Boltzmann machines (RBMs), popular machine learning models which form the building blocks of deep learning models, and several natural notions from discrete mathematics and…

Machine Learning · Statistics 2014-09-22 Guido F. Montufar , Jason Morton