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Inspired by the success of deep learning techniques in the physical and chemical sciences, we apply a modification of an autoencoder type deep neural network to the task of dimension reduction of molecular dynamics data. We can show that…

Machine Learning · Statistics 2018-04-04 Christoph Wehmeyer , Frank Noé

This paper studies a stylized, yet natural, learning-to-rank problem and points out the critical incorrectness of a widely used nearest neighbor algorithm. We consider a model with $n$ agents (users) $\{x_i\}_{i \in [n]}$ and $m$…

Machine Learning · Computer Science 2018-07-11 Ao Liu , Qiong Wu , Zhenming Liu , Lirong Xia

Manifold learning aims to discover and represent low-dimensional structures underlying high-dimensional data while preserving critical topological and geometric properties. Existing methods often fail to capture local details with global…

Machine Learning · Computer Science 2025-05-08 Ren Wang , Pengcheng Zhou

We consider the regression problem of estimating functions on $\mathbb{R}^D$ but supported on a $d$-dimensional manifold $ \mathcal{M} \subset \mathbb{R}^D $ with $ d \ll D $. Drawing ideas from multi-resolution analysis and nonlinear…

Machine Learning · Statistics 2021-01-14 Wenjing Liao , Mauro Maggioni , Stefano Vigogna

Nonlinear embedding manifold learning methods provide invaluable visual insights into the structure of high-dimensional data. However, due to a complicated nonconvex objective function, these methods can easily get stuck in local minima and…

Machine Learning · Computer Science 2019-12-30 Max Vladymyrov

Nonlinear dimensionality reduction methods provide a valuable means to visualize and interpret high-dimensional data. However, many popular methods can fail dramatically, even on simple two-dimensional manifolds, due to problems such as…

Machine Learning · Statistics 2020-07-08 Daniel Ting , Michael I. Jordan

Autoencoders have been extensively used in the development of recent anomaly detection techniques. The premise of their application is based on the notion that after training the autoencoder on normal training data, anomalous inputs will…

Machine Learning · Computer Science 2024-03-29 Amin Ghafourian , Huanyi Shui , Devesh Upadhyay , Rajesh Gupta , Dimitar Filev , Iman Soltani Bozchalooi

Autoencoders are techniques for data representation learning based on artificial neural networks. Differently to other feature learning methods which may be focused on finding specific transformations of the feature space, they can be…

Machine Learning · Computer Science 2020-05-12 David Charte , Francisco Charte , María J. del Jesus , Francisco Herrera

Integrating hard constraints into deep learning is essential for safety-critical systems. Yet existing constructive layers that project predictions onto constraint boundaries face a fundamental bottleneck: gradient saturation. By collapsing…

Machine Learning · Computer Science 2026-02-04 Philipp J. Schneider , Daniel Kuhn

In the recent times, autoencoders, besides being used for compression, have been proven quite useful even for regenerating similar images or help in image denoising. They have also been explored for anomaly detection in a few cases.…

Computer Vision and Pattern Recognition · Computer Science 2018-04-03 Shruti Mittal , Dattaraj Rao

Despite a variety of available techniques the issue of the proper regularization parameter choice for inverse problems still remains one of the biggest challenges. The main difficulty lies in constructing a rule, allowing to compute the…

Numerical Analysis · Mathematics 2017-10-13 Ernesto De Vito , Massimo Fornasier , Valeriya Naumova

We study the problem of how to build a deep learning representation for 3D shape. Deep learning has shown to be very effective in variety of visual applications, such as image classification and object detection. However, it has not been…

Computer Vision and Pattern Recognition · Computer Science 2014-09-26 Zhuotun Zhu , Xinggang Wang , Song Bai , Cong Yao , Xiang Bai

Motivated by the novel paradigm developed by Van Roy and coauthors for reinforcement learning in arbitrary non-Markovian environments, we propose a related formulation and explicitly pin down the error caused by non-Markovianity of…

Systems and Control · Electrical Eng. & Systems 2024-02-15 Siddharth Chandak , Pratik Shah , Vivek S Borkar , Parth Dodhia

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

The Jacobi-Davidson method is one of the most popular approaches for iteratively computing a few eigenvalues and their associated eigenvectors of a large matrix. The key of this method is to expand the search subspace via solving the…

Numerical Analysis · Mathematics 2015-11-04 Gang Wu , Hong-kui Pang

We investigate geometric regularization strategies for learned latent representations in encoder--decoder reduced-order models. In a fixed experimental setting for the advection--diffusion--reaction (ADR) equation, we model latent dynamics…

Machine Learning · Computer Science 2026-03-04 Mikhail Osipov

This work presents a data-driven framework for fast forward and inverse analysis in topology optimization (TO) by combining Rank Reduction Autoencoders (RRAEs) with neural latent-space mappings. The methodology targets the efficient…

Optimization on Riemannian manifolds widely arises in eigenvalue computation, density functional theory, Bose-Einstein condensates, low rank nearest correlation, image registration, and signal processing, etc. We propose an adaptive…

Optimization and Control · Mathematics 2017-08-08 Jiang Hu , Andre Milzarek , Zaiwen Wen , Yaxiang Yuan

Enhanced modeling of microlensing variations in light curves of strongly lensed quasars improves measurements of cosmological time delays, the Hubble Constant, and quasar structure. Traditional methods for modeling extra-galactic…

Instrumentation and Methods for Astrophysics · Physics 2025-01-03 Somayeh Khakpash , Federica Bianco , Georgios Vernardos , Gregory Dobler , Charles Keeton

Autoencoders are certainly among the most studied and used Deep Learning models: the idea behind them is to train a model in order to reconstruct the same input data. The peculiarity of these models is to compress the information through a…

Machine Learning · Computer Science 2023-09-06 Gabriele Martino , Davide Moroni , Massimo Martinelli
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