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This paper illustrates an application of machine learning (ML) within a complex system that performs grade estimation. In surface mining, assay measurements taken from production drilling often provide useful information that allows…

Geophysics · Physics 2021-09-15 Raymond Leung , Mehala Balamurali , Alexander Lowe

The application of deep learning to non-stationary temporal datasets can lead to overfitted models that underperform under regime changes. In this work, we propose a modular machine learning pipeline for ranking predictions on temporal…

Computational Finance · Quantitative Finance 2023-08-11 Thomas Wong , Mauricio Barahona

This paper integrates manifold learning techniques within a \emph{Gaussian process upper confidence bound} algorithm to optimize an objective function on a manifold. Our approach is motivated by applications where a full representation of…

Machine Learning · Statistics 2023-11-10 Hwanwoo Kim , Daniel Sanz-Alonso , Ruiyi Yang

After a somewhat rocky start, geometry and topology have established a foothold in machine learning. Message passing, either on graphs or higher-order complexes, is one of the main drivers of geometric deep learning, and paradigms that were…

Machine Learning · Computer Science 2026-05-11 Bastian Rieck

The study of topological bandstructures is an active area of research in condensed matter physics and beyond. Here, we combine recent progress in this field with developments in machine-learning, another rising topic of interest.…

Mesoscale and Nanoscale Physics · Physics 2020-06-03 Mathias S. Scheurer , Robert-Jan Slager

Latent variable models are powerful tools for learning low-dimensional manifolds from high-dimensional data. However, when dealing with constrained data such as unit-norm vectors or symmetric positive-definite matrices, existing approaches…

Machine Learning · Computer Science 2025-03-10 Leonel Rozo , Miguel González-Duque , Noémie Jaquier , Søren Hauberg

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

Kernel-based subspace clustering, which addresses the nonlinear structures in data, is an evolving area of research. Despite noteworthy progressions, prevailing methodologies predominantly grapple with limitations relating to (i) the…

Machine Learning · Computer Science 2025-01-22 Kunpeng Xu , Lifei Chen , Shengrui Wang

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

We consider the problem of embedding the nodes of a hypergraph into Euclidean space under the assumption that the interactions arose through closeness to unknown hyperedge centres. In this way, we tackle the inverse problem associated with…

Social and Information Networks · Computer Science 2025-09-11 Francesco Zigliotto , Desmond J. Higham

Manifold learning approaches seek the intrinsic, low-dimensional data structure within a high-dimensional space. Mainstream manifold learning algorithms, such as Isomap, UMAP, $t$-SNE, Diffusion Map, and Laplacian Eigenmaps do not use data…

Machine Learning · Statistics 2023-07-04 Jake S. Rhodes

Generalization, the ability to perform well beyond the training context, is a hallmark of biological and artificial intelligence, yet anticipating unseen failures remains a central challenge. Conventional approaches often take a…

Machine Learning · Computer Science 2026-03-03 Chi-Ning Chou , Artem Kirsanov , Yao-Yuan Yang , SueYeon Chung

Geometric and Topological Deep Learning are rapidly growing research areas that enhance machine learning through the use of geometric and topological structures. Within this framework, Group Equivariant Non-Expansive Operators (GENEOs) have…

Representation Theory · Mathematics 2026-01-14 Francesco Conti , Patrizio Frosini , Nicola Quercioli

Graphs are ubiquitous, and learning on graphs has become a cornerstone in artificial intelligence and data mining communities. Unlike pixel grids in images or sequential structures in language, graphs exhibit a typical non-Euclidean…

Machine Learning · Computer Science 2026-02-12 Li Sun , Qiqi Wan , Suyang Zhou , Zhenhao Huang , Philip S. Yu

Exploiting internal spatial geometric constraints of sparse LiDARs is beneficial to depth completion, however, has been not explored well. This paper proposes an efficient method to learn geometry-aware embedding, which encodes the local…

Computer Vision and Pattern Recognition · Computer Science 2022-06-02 Wenchao Du , Hu Chen , Hongyu Yang , Yi Zhang

Function approximation based on data drawn randomly from an unknown distribution is an important problem in machine learning. The manifold hypothesis assumes that the data is sampled from an unknown submanifold of a high dimensional…

Machine Learning · Computer Science 2024-08-20 H. N. Mhaskar , Ryan O'Dowd

Machine learning interatomic potentials (MLIPs) enables molecular dynamics (MD) simulations with ab initio accuracy and has been applied to various fields of physical science. However, the performance and transferability of MLIPs are…

Chemical Physics · Physics 2024-04-16 Taoyong Cui , Chenyu Tang , Mao Su , Shufei Zhang , Yuqiang Li , Lei Bai , Yuhan Dong , Xingao Gong , Wanli Ouyang

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

In this paper, we propose a novel subspace learning framework for one-class classification. The proposed framework presents the problem in the form of graph embedding. It includes the previously proposed subspace one-class techniques as its…

Machine Learning · Computer Science 2023-08-29 Fahad Sohrab , Alexandros Iosifidis , Moncef Gabbouj , Jenni Raitoharju

The increasing use of machine-learning (ML) enabled systems in critical tasks fuels the quest for novel verification and validation techniques yet grounded in accepted system assurance principles. In traditional system development,…

Machine Learning · Computer Science 2020-02-11 Taejoon Byun , Sanjai Rayadurgam
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