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Data-driven discovery of partial differential equations (PDEs) has attracted increasing attention in recent years. Although significant progress has been made, certain unresolved issues remain. For example, for PDEs with high-order…

Machine Learning · Computer Science 2021-09-14 Hao Xu , Dongxiao Zhang , Nanzhe Wang

The dynamic of complex ordering systems with active rotational degrees of freedom exemplified by protein self-assembly is explored using a machine learning workflow that combines deep learning-based semantic segmentation and rotationally…

Soft Condensed Matter · Physics 2021-04-26 Sergei V. Kalinin , Shuai Zhang , Mani Valleti , Harley Pyles , David Baker , James J. De Yoreo , Maxim Ziatdinov

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

We consider the problem of forecasting complex, nonlinear space-time processes when observations provide only partial information of on the system's state. We propose a natural data-driven framework, where the system's dynamics are modelled…

Systems and Control · Computer Science 2019-03-01 Ibrahim Ayed , Emmanuel de Bézenac , Arthur Pajot , Julien Brajard , Patrick Gallinari

We propose a method for learning dynamical systems from high-dimensional empirical data that combines variational autoencoders and (spatio-)temporal attention within a framework designed to enforce certain scientifically-motivated…

Machine Learning · Computer Science 2023-06-22 Kai Lagemann , Christian Lagemann , Sach Mukherjee

We propose a novel approach to disentangle the generative factors of variation underlying a given set of observations. Our method builds upon the idea that the (unknown) low-dimensional manifold underlying the data space can be explicitly…

Machine Learning · Computer Science 2021-10-05 Marco Fumero , Luca Cosmo , Simone Melzi , Emanuele Rodolà

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering…

Computational Physics · Physics 2020-12-02 Ravi G. Patel , Nathaniel A. Trask , Mitchell A. Wood , Eric C. Cyr

This paper introduces Neural Subdivision, a novel framework for data-driven coarse-to-fine geometry modeling. During inference, our method takes a coarse triangle mesh as input and recursively subdivides it to a finer geometry by applying…

Graphics · Computer Science 2020-05-06 Hsueh-Ti Derek Liu , Vladimir G. Kim , Siddhartha Chaudhuri , Noam Aigerman , Alec Jacobson

The phenomenon of self-synchronization in populations of oscillatory units appears naturally in neurosciences. However, in some situations, the formation of a coherent state is damaging. In this article we study a repulsive mean-field…

Adaptation and Self-Organizing Systems · Physics 2018-03-08 Corina Ciobotaru , Linard Hoessly , Christian Mazza , Xavier Richard

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

Data-driven control methods based on subspace representations are powerful but are often limited to linear time-invariant systems where the model order is known. A key challenge is developing online data-driven control algorithms for…

Optimization and Control · Mathematics 2026-04-13 Dian Jin , Jeremy Coulson

Enhanced sampling methods are indispensable in computational physics and chemistry, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space of dynamical systems due to the sampling problem. A class of…

Chemical Physics · Physics 2024-04-04 Jakub Rydzewski , Ming Chen , Tushar K. Ghosh , Omar Valsson

Representation learning is typically applied to only one mode of a data matrix, either its rows or columns. Yet in many applications, there is an underlying geometry to both the rows and the columns. We propose utilizing this coupled…

Machine Learning · Statistics 2018-10-17 Gal Mishne , Eric C. Chi , Ronald R. Coifman

Previous results have shown that a large class of complex systems consisting of many interacting heterogeneous phase oscillators exhibit an attracting invariant manifold. This result has enabled reduced analytic system descriptions from…

Adaptation and Self-Organizing Systems · Physics 2019-05-22 Sarthak Chandra , Michelle Girvan , Edward Ott

A central challenge in data-driven model discovery is the presence of hidden, or latent, variables that are not directly measured but are dynamically important. Takens' theorem provides conditions for when it is possible to augment these…

Machine Learning · Computer Science 2022-01-14 Joseph Bakarji , Kathleen Champion , J. Nathan Kutz , Steven L. Brunton

Manifold learning is a central task in modern statistics and data science. Many datasets (cells, documents, images, molecules) can be represented as point clouds embedded in a high dimensional ambient space, however the degrees of freedom…

Machine Learning · Statistics 2025-02-18 Stephen Zhang , Gilles Mordant , Tetsuya Matsumoto , Geoffrey Schiebinger

In many applications it is desirable to infer coarse-grained models from observational data. The observed process often corresponds only to a few selected degrees of freedom of a high-dimensional dynamical system with multiple time scales.…

Statistics Theory · Mathematics 2015-05-06 Serafim Kalliadasis , Sebastian Krumscheid , Grigorios A. Pavliotis

Developing accurate and efficient coarse-grained representations of proteins is crucial for understanding their folding, function, and interactions over extended timescales. Our methodology involves simulating proteins with molecular…

Biomolecules · Quantitative Biology 2023-10-11 Carles Navarro , Maciej Majewski , Gianni de Fabritiis

Current deep learning-based manifold learning algorithms such as the variational autoencoder (VAE) require fully sampled data to learn the probability density of real-world datasets. Once learned, the density can be used for a variety of…

Image and Video Processing · Electrical Eng. & Systems 2021-12-13 Qing Zou , Abdul Haseeb Ahmed , Prashant Nagpal , Sarv Priya , Rolf Schulte , Mathews Jacob

The article introduces a method to learn dynamical systems that are governed by Euler--Lagrange equations from data. The method is based on Gaussian process regression and identifies continuous or discrete Lagrangians and is, therefore,…

Numerical Analysis · Mathematics 2025-07-01 Christian Offen