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Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex…

Computational Physics · Physics 2023-10-17 Jakub Rydzewski , Ming Chen , Omar Valsson

Manifold learning techniques have become increasingly valuable as data continues to grow in size. By discovering a lower-dimensional representation (embedding) of the structure of a dataset, manifold learning algorithms can substantially…

Neural and Evolutionary Computing · Computer Science 2020-01-31 Andrew Lensen , Mengjie Zhang , Bing Xue

Topological materials present unconventional electronic properties that make them attractive for both basic science and next-generation technological applications. The majority of currently known topological materials have been discovered…

Materials Science · Physics 2023-02-14 Andrew Ma , Yang Zhang , Thomas Christensen , Hoi Chun Po , Li Jing , Liang Fu , Marin Soljačić

spectral-based subspace learning is a common data preprocessing step in many machine learning pipelines. The main aim is to learn a meaningful low dimensional embedding of the data. However, most subspace learning methods do not take into…

Machine Learning · Computer Science 2023-06-14 Firas Laakom , Jenni Raitoharju , Nikolaos Passalis , Alexandros Iosifidis , Moncef Gabbouj

When three-dimensional bodies contain thin features, non-trivial topology, or scan-derived surfaces, volumetric meshing can become the dominant bottleneck in simulation workflows. We replace this step with a learned geometric…

Computational Physics · Physics 2026-04-02 WaiChing Sun

High-quality training data is the foundation of machine learning and artificial intelligence, shaping how models learn and perform. Although much is known about what types of data are effective for training, the impact of the data's…

Machine Learning · Computer Science 2025-10-21 Yang Ba , Mohammad Sadeq Abolhasani , Rong Pan

Topological data analysis is becoming increasingly relevant to support the analysis of unstructured data sets. A common assumption in data analysis is that the data set is a sample---not necessarily a uniform one---of some high-dimensional…

Algebraic Topology · Mathematics 2021-01-20 Bastian Rieck , Markus Banagl , Filip Sadlo , Heike Leitte

Cylindrical Algebraic Decomposition (CAD) is a key tool in computational algebraic geometry, best known as a procedure to enable Quantifier Elimination over real-closed fields. However, it has a worst case complexity doubly exponential in…

Symbolic Computation · Computer Science 2019-11-25 Zongyan Huang , Matthew England , David Wilson , James H. Davenport , Lawrence C. Paulson

We investigate learning of the differential geometric structure of a data manifold embedded in a high-dimensional Euclidean space. We first analyze kernel-based algorithms and show that under the usual regularizations, non-probabilistic…

Machine Learning · Statistics 2019-09-27 Søren Hauberg

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

Imbalanced classification presents a formidable challenge in machine learning, particularly when tabular datasets are plagued by noise and overlapping class boundaries. From a geometric perspective, the core difficulty lies in the…

Machine Learning · Computer Science 2026-02-16 Xubin Wang , Qing Li , Weijia Jia

In recent years, manifold learning has become increasingly popular as a tool for performing non-linear dimensionality reduction. This has led to the development of numerous algorithms of varying degrees of complexity that aim to recover man…

Machine Learning · Statistics 2013-06-03 Dominique Perraul-Joncas , Marina Meila

Geometric Machine Learning (GML) has shown that respecting non-Euclidean geometry in data spaces can significantly improve performance over naive Euclidean assumptions. In parallel, Quantum Machine Learning (QML) has emerged as a promising…

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

Many real-world problems can be formulated as geometric optimization problems in high dimensions, especially in the fields of machine learning and data mining. Moreover, we often need to take into account of outliers when optimizing the…

Computational Geometry · Computer Science 2020-05-04 Hu Ding

A suitable feature representation that can both preserve the data intrinsic information and reduce data complexity and dimensionality is key to the performance of machine learning models. Deeply rooted in algebraic topology, persistent…

Algebraic Topology · Mathematics 2018-11-02 Chi Seng Pun , Kelin Xia , Si Xian Lee

Topological data analysis is a relatively new branch of machine learning that excels in studying high dimensional data, and is theoretically known to be robust against noise. Meanwhile, data objects with mixed numeric and categorical…

Algebraic Topology · Mathematics 2020-06-15 Chengyuan Wu , Carol Anne Hargreaves

Through the use of examples, we explain one way in which applied topology has evolved since the birth of persistent homology in the early 2000s. The first applications of topology to data emphasized the global shape of a dataset, such as…

Algebraic Topology · Mathematics 2021-04-23 Henry Adams , Michael Moy

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

Machine Learning · Computer Science 2014-04-24 Yoshua Bengio , Aaron Courville , Pascal Vincent

In a recent paper, the authors proposed a general methodology for probabilistic learning on manifolds. The method was used to generate numerical samples that are statistically consistent with an existing dataset construed as a realization…

Probability · Mathematics 2018-03-30 C. Soizea , R. Ghanem , C. Safta , X. Huan , Z. P. Vane , J. Oefelein , G. Lacaz , H. N. Najm , Q. Tang , X. Chen