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The inapplicability of amino acid covariation methods to small protein families has limited their use for structural annotation of whole genomes. Recently, deep learning has shown promise in allowing accurate residue-residue contact…

Biomolecules · Quantitative Biology 2019-09-10 Joe G Greener , Shaun M Kandathil , David T Jones

Predicting the dynamics of complex systems is crucial for various scientific and engineering applications. The accuracy of predictions depends on the model's ability to capture the intrinsic dynamics. While existing methods capture key…

Computational Engineering, Finance, and Science · Computer Science 2025-06-10 Ruikun Li , Jingwen Cheng , Huandong Wang , Qingmin Liao , Yong Li

Under a set of assumptions on a family of submanifolds $\subset {\mathbb R}^D$, we derive a series of geometric properties that remain valid after finite-dimensional and almost isometric Diffusion Maps (DM), including almost uniform…

Machine Learning · Statistics 2026-05-15 Wenyu Bo , Marina Meilă

High-dimensional nonlinear systems pose considerable challenges for modeling and control across many domains, from fluid mechanics to advanced robotics. Such systems are typically approximated with reduced-order models, which often rely on…

Systems and Control · Electrical Eng. & Systems 2025-09-05 Hugo Buurmeijer , Luis A. Pabon , John Irvin Alora , Roshan S. Kaundinya , George Haller , Marco Pavone

Active area of research in AI is the theory of manifold learning and finding lower-dimensional manifold representation on how we can learn geometry from data for providing better quality curated datasets. There are however various issues…

Machine Learning · Computer Science 2024-10-16 Liubov Tupikina , Kathuria Hritika

A key task in the field of modeling and analyzing nonlinear dynamical systems is the recovery of unknown governing equations from measurement data only. There is a wide range of application areas for this important instance of system…

Dynamical Systems · Mathematics 2019-04-11 Patrick Gelß , Stefan Klus , Jens Eisert , Christof Schütte

Data augmentation for deep learning benefits model training, image transformation, medical imaging analysis and many other fields. Many existing methods generate new samples from a parametric distribution, like the Gaussian, with little…

Computer Vision and Pattern Recognition · Computer Science 2023-10-13 Elvis Han Cui , Bingbin Li , Yanan Li , Weng Kee Wong , Donghui Wang

We present a sampling-based framework for multi-robot motion planning which combines an implicit representation of a roadmap with a novel approach for pathfinding in geometrically embedded graphs tailored for our setting. Our pathfinding…

Robotics · Computer Science 2014-04-01 Kiril Solovey , Oren Salzman , Dan Halperin

This article presents a general framework for recovering missing dynamical systems using available data and machine learning techniques. The proposed framework reformulates the prediction problem as a supervised learning problem to…

Numerical Analysis · Mathematics 2020-10-20 John Harlim , Shixiao W. Jiang , Senwei Liang , Haizhao Yang

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent…

Machine Learning · Computer Science 2024-08-13 Giovanni S. Alberti , Johannes Hertrich , Matteo Santacesaria , Silvia Sciutto

We propose a hybrid physics-informed machine learning framework to approximate invariant manifolds (IMs) of discrete-time dynamical systems driven by exogenous autonomous dynamics (exosystems). Such systems appear in applications ranging…

Manifold Learning is a class of algorithms seeking a low-dimensional non-linear representation of high-dimensional data. Thus manifold learning algorithms are, at least in theory, most applicable to high-dimensional data and sample sizes to…

Machine Learning · Computer Science 2016-03-10 James McQueen , Marina Meila , Jacob VanderPlas , Zhongyue Zhang

A core challenge in the interpretation of deep neural networks is identifying commonalities between the underlying algorithms implemented by distinct networks trained for the same task. Motivated by this problem, we introduce DYNAMO, an…

Machine Learning · Computer Science 2023-03-01 Jordan Cotler , Kai Sheng Tai , Felipe Hernández , Blake Elias , David Sussillo

Recurrent neural networks (RNNs) provide a theoretical framework for understanding computation in biological neural circuits, yet classical results, such as Hopfield's model of associative memory, rely on symmetric connectivity that…

Disordered Systems and Neural Networks · Physics 2026-02-17 Ramón Nartallo-Kaluarachchi , Renaud Lambiotte , Alain Goriely

Augmentation for dense prediction typically relies on either sample mixing or generative synthesis. Mixing improves robustness but misaligned masks yield soft label ambiguity. Diffusion synthesis increases apparent diversity but, when…

Computer Vision and Pattern Recognition · Computer Science 2025-11-06 Pengyu Jie , Wanquan Liu , Rui He , Yihui Wen , Deyu Meng , Chenqiang Gao

Statistical inference from high-dimensional data with low-dimensional structures has recently attracted lots of attention. In machine learning, deep generative modeling approaches implicitly estimate distributions of complex objects by…

Statistics Theory · Mathematics 2022-02-21 Rong Tang , Yun Yang

We introduce Hodge Diffusion Maps, a novel manifold learning algorithm designed to analyze and extract topological information from high-dimensional data-sets. This method approximates the exterior derivative acting on differential forms,…

Machine Learning · Computer Science 2025-04-11 Alvaro Almeida Gomez , Jorge Duque Franco

We introduce a novel framework that directly learns a spectral basis for shape and manifold analysis from unstructured data, eliminating the need for traditional operator selection, discretization, and eigensolvers. Grounded in…

Computer Vision and Pattern Recognition · Computer Science 2025-12-02 Roy Velich , Arkadi Piven , David Bensaïd , Daniel Cremers , Thomas Dagès , Ron Kimmel

Deep Metric Learning (DML) methods have been proven relevant for visual similarity learning. However, they sometimes lack generalization properties because they are trained often using an inappropriate sample selection strategy or due to…

Computer Vision and Pattern Recognition · Computer Science 2022-06-07 Jorge Gonzalez-Zapata , Ivan Reyes-Amezcua , Daniel Flores-Araiza , Mauricio Mendez-Ruiz , Gilberto Ochoa-Ruiz , Andres Mendez-Vazquez

For functional data lying on an unknown nonlinear low-dimensional space, we study manifold learning and introduce the notions of manifold mean, manifold modes of functional variation and of functional manifold components. These constitute…

Statistics Theory · Mathematics 2012-05-29 Dong Chen , Hans-Georg Müller