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Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Machine Learning · Computer Science 2025-08-27 Wenyin Zhou , Christopher Iliffe Sprague , Vsevolod Viliuga , Matteo Tadiello , Arne Elofsson , Hossein Azizpour

This paper focuses on the statistical analysis of shapes of data objects called shape graphs, a set of nodes connected by articulated curves with arbitrary shapes. A critical need here is a constrained registration of points (nodes to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Shenyuan Liang , Mauricio Pamplona Segundo , Sathyanarayanan N. Aakur , Sudeep Sarkar , Anuj Srivastava

Instead of evaluating the gradient field of the brightness map of an image, we propose the use of dipole vectors. This approach is obtained by adapting to the image gray-tone distribution the definition of the dipole moment of charge…

Computer Vision and Pattern Recognition · Computer Science 2009-02-27 Amelia Sparavigna

Deep networks for image classification often rely more on texture information than object shape. While efforts have been made to make deep-models shape-aware, it is often difficult to make such models simple, interpretable, or rooted in…

Computer Vision and Pattern Recognition · Computer Science 2023-05-24 Rajhans Singh , Ankita Shukla , Pavan Turaga

We introduce TANGO -- a dynamical systems inspired framework for graph representation learning that governs node feature evolution through a learned energy landscape and its associated descent dynamics. At the core of our approach is a…

Machine Learning · Computer Science 2025-08-08 Moshe Eliasof , Eldad Haber , Carola-Bibiane Schönlieb

We study both the local and global existence of a gradient flow of the Sinai-Ruelle-Bowen entropy functional on a Hilbert manifold of expanding maps of a circle equipped with a Sobolev norm in the tangent space of the manifold. We show…

Mathematical Physics · Physics 2023-06-22 Miaohua Jiang

We study geometric properties of the gradient flow for learning deep linear convolutional networks. For linear fully connected networks, it has been shown recently that the corresponding gradient flow on parameter space can be written as a…

Machine Learning · Computer Science 2026-04-07 El Mehdi Achour , Kathlén Kohn , Holger Rauhut

In this paper we are concerned with the approach to shape analysis based on the so called Square Root Velocity Transform (SRVT). We propose a generalisation of the SRVT from Euclidean spaces to shape spaces of curves on Lie groups and on…

Differential Geometry · Mathematics 2018-05-14 Elena Celledoni , Sølve Eidnes , Markus Eslitzbichler , Alexander Schmeding

We consider gradient flows of surface energies which depend on the surface by a parameterization and on a tangential tensor field. The flow allows for dissipation by evolving the parameterization and the tensor field simultaneously. This…

Mathematical Physics · Physics 2024-03-25 Ingo Nitschke , Souhayl Sadik , Axel Voigt

We report frozen patterns for the water droplets impacting on a cold substrate through fast-speed images. These patterns can be manipulated by several physical parameters (the droplet size, falling height, and substrate temperature), and…

Fluid Dynamics · Physics 2020-08-25 Man Hu , Feng Wang , Qian Tao , Li Chen , Shmuel M. Rubinstein , Daosheng Deng

In this article we study the problem of thoracic image registration, in particular the estimation of complex anatomical deformations associated with the breathing cycle. Using the intimate link between the Riemannian geometry of the space…

Numerical Analysis · Mathematics 2018-07-20 Caleb Rottman , Martin Bauer , Klas Modin , Sarang Joshi

The harmonic map energy of a map from a closed, constant-curvature surface to a closed target manifold can be seen as a functional on the space of maps and domain metrics. We consider the gradient flow for this energy. In the absence of…

Differential Geometry · Mathematics 2019-09-17 James Kohout , Melanie Rupflin , Peter M. Topping

Recently, deep-learning-based approaches have been widely studied for deformable image registration task. However, most efforts directly map the composite image representation to spatial transformation through the convolutional neural…

Image and Video Processing · Electrical Eng. & Systems 2022-07-08 Jiashun Chen , Donghuan Lu , Yu Zhang , Dong Wei , Munan Ning , Xinyu Shi , Zhe Xu , Yefeng Zheng

Diffeomorphic image registration, offering smooth transformation and topology preservation, is required in many medical image analysis tasks.Traditional methods impose certain modeling constraints on the space of admissible transformations…

Computer Vision and Pattern Recognition · Computer Science 2022-11-03 Kun Han , Shanlin sun , Xiangyi Yan , Chenyu You , Hao Tang , Junayed Naushad , Haoyu Ma , Deying Kong , Xiaohui Xie

This study proposes an end-to-end unsupervised diffeomorphic deformable registration framework based on moving mesh parameterization. Using this parameterization, a deformation field can be modeled with its transformation Jacobian…

Image and Video Processing · Electrical Eng. & Systems 2022-08-30 Ameneh Sheikhjafari , Deepa Krishnaswamy , Michelle Noga , Nilanjan Ray , Kumaradevan Punithakumar

This paper is motivated from a fundamental curiosity on what defines a category of object shapes. For example, we may have the common knowledge that a plane has wings, and a chair has legs. Given the large shape variations among different…

Computer Vision and Pattern Recognition · Computer Science 2020-12-15 Chaozheng Wu , Lin Sun , Xun Xu , Kui Jia

An extended Maxwell viscoelastic model with a relaxation parameter is studied from mathematical and numerical points of view. It is shown that the model has a gradient flow property with respect to a viscoelastic energy. Based on the…

Numerical Analysis · Mathematics 2021-07-22 Masato Kimura , Hirofumi Notsu , Yoshimi Tanaka , Hiroki Yamamoto

Classical deformable registration techniques achieve impressive results and offer a rigorous theoretical treatment, but are computationally intensive since they solve an optimization problem for each image pair. Recently, learning-based…

Computer Vision and Pattern Recognition · Computer Science 2019-07-26 Adrian V. Dalca , Guha Balakrishnan , John Guttag , Mert R. Sabuncu

Shape optimization with constraints given by partial differential equations (PDE) is a highly developed field of optimization theory. The elegant adjoint formalism allows to compute shape gradients at the computational cost of a further PDE…

Optimization and Control · Mathematics 2023-03-03 Matthias Bolten , Onur Tanil Doganay , Hanno Gottschalk , Kathrin Klamroth

In the paper, some concepts of modern differential geometry are used as a basis to develop an invariant theory of mechanical systems, including systems with gyroscopic forces. An interpretation of systems with gyroscopic forces in the form…

Differential Geometry · Mathematics 2014-02-03 M. P. Kharlamov
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