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One of the molecular properties most intuitive to the human perception is the geometrical shape. However, when exploring a large chemical space the determination of shape needs to be automated. We present a fast and simple approach to…

Chemical Physics · Physics 2019-04-16 Guido Falk von Rudorff

Dense retrieval models use bi-encoder network architectures for learning query and document representations. These representations are often in the form of a vector representation and their similarities are often computed using the dot…

Information Retrieval · Computer Science 2023-05-01 Hamed Zamani , Michael Bendersky

We represent 3D shape by structured 2D representations of fixed length making it feasible to apply well investigated 2D convolutional neural networks (CNN) for both discriminative and geometric tasks on 3D shapes. We first provide a general…

Computer Vision and Pattern Recognition · Computer Science 2023-08-14 Kripasindhu Sarkar , Elizabeth Mathews , Didier Stricker

Cardiac magnetic resonance (CMR) sequences visualise the cardiac function voxel-wise over time. Simultaneously, deep learning-based deformable image registration is able to estimate discrete vector fields which warp one time step of a CMR…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Sven Koehler , Tarique Hussain , Hamza Hussain , Daniel Young , Samir Sarikouch , Thomas Pickhardt , Gerald Greil , Sandy Engelhardt

We present a rotation-equivariant unsupervised learning framework for the sparse deconvolution of non-negative scalar fields defined on the unit sphere. Spherical signals with multiple peaks naturally arise in Diffusion MRI (dMRI), where…

Image and Video Processing · Electrical Eng. & Systems 2021-02-19 Axel Elaldi , Neel Dey , Heejong Kim , Guido Gerig

The existing object classification techniques based on descriptive features rely on object alignment to compute the similarity of objects for classification. This paper replaces the necessity of object alignment through sorting of feature.…

Computer Vision and Pattern Recognition · Computer Science 2026-01-08 Bimal Kumar Ray

Deep distance metric learning (DDML), which is proposed to learn image similarity metrics in an end-to-end manner based on the convolution neural network, has achieved encouraging results in many computer vision tasks.$L2$-normalization in…

Computer Vision and Pattern Recognition · Computer Science 2018-03-29 Xuefei Zhe , Shifeng Chen , Hong Yan

Most 3D shape analysis methods use triangular meshes to discretize both the shape and functions on it as piecewise linear functions. With this representation, shape analysis requires fine meshes to represent smooth shapes and geometric…

Computer Vision and Pattern Recognition · Computer Science 2017-11-30 V. Estellers , F. R. Schmidt , D. Cremers

Motion trajectory recognition is important for characterizing the moving property of an object. The speed and accuracy of trajectory recognition rely on a compact and discriminative feature representation, and the situations of varying…

Computer Vision and Pattern Recognition · Computer Science 2016-04-18 Xingyu Wu , Xia Mao , Lijiang Chen , Yuli Xue , Angelo Compare

This paper proposes a 3D shape descriptor network, which is a deep convolutional energy-based model, for modeling volumetric shape patterns. The maximum likelihood training of the model follows an "analysis by synthesis" scheme and can be…

Computer Vision and Pattern Recognition · Computer Science 2018-04-03 Jianwen Xie , Zilong Zheng , Ruiqi Gao , Wenguan Wang , Song-Chun Zhu , Ying Nian Wu

We derive simplified normal forms for an area-preserving map in a neighbourhood of a degenerate resonant elliptic fixed point. Such fixed points appear in generic two-parameter families of area-preserving maps. We also derive a simplified…

Dynamical Systems · Mathematics 2015-06-18 Vassili Gelfreich , Natalia Gelfreikh

Modern datasets often exhibit high dimensionality, yet the data reside in low-dimensional manifolds that can reveal underlying geometric structures critical for data analysis. A prime example of such a dataset is a collection of cell cycle…

Machine Learning · Statistics 2023-04-28 Hengrui Luo , Jeremy E. Purvis , Didong Li

It is possible to associate a highly constrained subset of relative 6 DoF poses between two 3D shapes, as long as the local surface orientation, the normal vector, is available at every surface point. Local shape features can be used to…

Computer Vision and Pattern Recognition · Computer Science 2018-08-29 Anders Glent Buch , Lilita Kiforenko , Dirk Kraft

Structural defects within amorphous packings of symmetric particles can be characterized using a machine learning approach that incorporates structure functions of radial distances and angular arrangement. This yields a scalar field,…

Soft Condensed Matter · Physics 2019-03-06 Matt Harrington , Andrea J. Liu , Douglas J. Durian

Spatial transformations are enablers in a variety of medical image analysis applications that entail aligning images to a common coordinate systems. Population analysis of such transformations is expected to capture the underlying image and…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Riddhish Bhalodia , Shireen Y. Elhabian , Ladislav Kavan , Ross T. Whitaker

Statistical shape modeling (SSM) characterizes anatomical variations in a population of shapes generated from medical images. SSM requires consistent shape representation across samples in shape cohort. Establishing this representation…

Computer Vision and Pattern Recognition · Computer Science 2022-03-17 Riddhish Bhalodia , Shireen Elhabian , Jadie Adams , Wenzheng Tao , Ladislav Kavan , Ross Whitaker

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Rotational symmetry plays a central role in physics, providing an elegant framework to describe how the properties of 3D objects -- from atoms to the macroscopic scale -- transform under the action of rigid rotations. Equivariant models of…

Chemical Physics · Physics 2025-10-28 Michelangelo Domina , Filippo Bigi , Paolo Pegolo , Michele Ceriotti

Fault detection and diagnosis is significant for reducing maintenance costs and improving health and safety in chemical processes. Convolution neural network (CNN) is a popular deep learning algorithm with many successful applications in…

Machine Learning · Computer Science 2023-07-11 Mengxuan Li , Peng Peng , Min Wang , Hongwei Wang

Compressed Sensing MRI reconstructs images of the body's internal anatomy from undersampled measurements, thereby reducing scan time. Recently, deep learning has shown great potential for reconstructing high-fidelity images from highly…

Image and Video Processing · Electrical Eng. & Systems 2025-04-07 Armeet Singh Jatyani , Jiayun Wang , Aditi Chandrashekar , Zihui Wu , Miguel Liu-Schiaffini , Bahareh Tolooshams , Anima Anandkumar