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In the given paper the algorithm describing original and universal principles of a triangulation of a smooth molecular surface: solvent excluding solvent (SES), received by primary and secondary rolling, and solvent accessible surface (SAS)…

Chemical Physics · Physics 2013-03-19 Oleg Kupervasser , N. E. Wanner

We adapt a manifold sampling algorithm for the nonsmooth, nonconvex formulations of learning that arise when imposing robustness to outliers present in the training data. We demonstrate the approach on objectives based on trimmed loss.…

Optimization and Control · Mathematics 2018-07-10 Matt Menickelly , Stefan M. Wild

Recently, there has been much interest in spectral approaches to learning manifolds---so-called kernel eigenmap methods. These methods have had some successes, but their applicability is limited because they are not robust to noise. To…

Machine Learning · Computer Science 2012-06-22 Byron Boots , Geoff Gordon

This paper extends robust principal component analysis (RPCA) to nonlinear manifolds. Suppose that the observed data matrix is the sum of a sparse component and a component drawn from some low dimensional manifold. Is it possible to…

Machine Learning · Computer Science 2019-11-12 He Lyu , Ningyu Sha , Shuyang Qin , Ming Yan , Yuying Xie , Rongrong Wang

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

We consider the problem of learning low-rank tensors from partial observations with structural constraints, and propose a novel factorization of such tensors, which leads to a simpler optimization problem. The resulting problem is an…

Machine Learning · Computer Science 2023-05-16 Jayadev Naram , Tanmay Kumar Sinha , Pawan Kumar

This work considers a new task in geometric deep learning: generating a triangulation among a set of points in 3D space. We present PointTriNet, a differentiable and scalable approach enabling point set triangulation as a layer in 3D…

Computer Vision and Pattern Recognition · Computer Science 2020-07-24 Nicholas Sharp , Maks Ovsjanikov

Data similarity is a key concept in many data-driven applications. Many algorithms are sensitive to similarity measures. To tackle this fundamental problem, automatically learning of similarity information from data via self-expression has…

Machine Learning · Computer Science 2019-03-12 Zhao Kang , Yiwei Lu , Yuanzhang Su , Changsheng Li , Zenglin Xu

We propose a new approach to analyze data that naturally lie on manifolds. We focus on a special class of manifolds, called direct product manifolds, whose intrinsic dimension could be very high. Our method finds a low-dimensional…

Applications · Statistics 2011-04-19 Sungkyu Jung , Mark Foskey , J. S. Marron

Dimensionality reduction algorithms like principal component analysis (PCA) are workhorses of machine learning and neuroscience, but each has well-known limitations. Variants of PCA are simple and interpretable, but not flexible enough to…

Machine Learning · Computer Science 2025-12-01 John J. Vastola , Samuel J. Gershman , Kanaka Rajan

Based on the manifold hypothesis, real-world data often lie on a low-dimensional manifold, while normalizing flows as a likelihood-based generative model are incapable of finding this manifold due to their structural constraints. So, one…

Machine Learning · Computer Science 2022-06-08 Seyedeh Fatemeh Razavi , Mohammad Mahdi Mehmanchi , Reshad Hosseini , Mostafa Tavassolipour

We describe an efficient domain decomposition-based framework for nonlinear multiscale PDE problems. The framework is inspired by manifold learning techniques and exploits the tangent spaces spanned by the nearest neighbors to compress…

Numerical Analysis · Mathematics 2021-11-10 Shi Chen , Qin Li , Jianfeng Lu , Stephen J. Wright

Deep neural networks exhibit a simplicity bias, a well-documented tendency to favor simple functions over complex ones. In this work, we cast new light on this phenomenon through the lens of the Minimum Description Length principle,…

The recovery of the intrinsic geometric structures of data collections is an important problem in data analysis. Supervised extensions of several manifold learning approaches have been proposed in the recent years. Meanwhile, existing…

Computer Vision and Pattern Recognition · Computer Science 2018-05-29 Cem Ornek , Elif Vural

With a better understanding of the loss surfaces for multilayer networks, we can build more robust and accurate training procedures. Recently it was discovered that independently trained SGD solutions can be connected along one-dimensional…

Machine Learning · Computer Science 2021-11-17 Gregory W. Benton , Wesley J. Maddox , Sanae Lotfi , Andrew Gordon Wilson

We revisit the problem of fair representation learning by proposing Fair Partial Least Squares (PLS) components. PLS is widely used in statistics to efficiently reduce the dimension of the data by providing representation tailored for the…

Machine Learning · Computer Science 2025-02-25 Elena M. De-Diego , Adrián Perez-Suay , Paula Gordaliza , Jean-Michel Loubes

Multidimensional functional data streams arise in diverse scientific fields, yet their analysis poses significant challenges. We propose a novel online framework for functional principal component analysis that enables efficient and…

Methodology · Statistics 2025-05-06 Muye Nanshan , Nan Zhang , Jiguo Cao

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are…

Machine Learning · Computer Science 2023-08-25 Tianjiao Ding , Shengbang Tong , Kwan Ho Ryan Chan , Xili Dai , Yi Ma , Benjamin D. Haeffele

We study non-linear data-dimension reduction. We are motivated by the classical linear framework of Principal Component Analysis. In nonlinear case, we introduce instead a new kernel-Principal Component Analysis, manifold and feature space…

Functional Analysis · Mathematics 2022-09-09 Palle E. T. Jorgensen , Sooran Kang , Myung-Sin Song , Feng Tian

The utilization of residual learning has become widespread in deep and scalable neural nets. However, the fundamental principles that contribute to the success of residual learning remain elusive, thus hindering effective training of plain…

Computer Vision and Pattern Recognition · Computer Science 2024-02-14 Tunhou Zhang , Feng Yan , Hai Li , Yiran Chen
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