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Molecular representation learning plays a crucial role in AI-assisted drug discovery research. Encoding 3D molecular structures through Euclidean neural networks has become the prevailing method in the geometric deep learning community.…

Machine Learning · Computer Science 2023-03-29 Yiqun Wang , Yuning Shen , Shi Chen , Lihao Wang , Fei Ye , Hao Zhou

With the aim to get a general understanding of rotational bands in the deformed rare-earth region or in deformed nuclei in general, the observed normal-deformed rotational structures in $^{167}$Lu are interpreted within the unpaired and…

Nuclear Theory · Physics 2020-02-19 Azam Kardan , Ingemar Ragnarsson , B. Gillis Carlsson , Hai-Liang Ma

Statistical shape analysis is a very useful tool in a wide range of medical and biological applications. However, it typically relies on the ability to produce a relatively small number of features that can capture the relevant variability…

Computer Vision and Pattern Recognition · Computer Science 2020-06-16 Riddhish Bhalodia , Ladislav Kavan , Ross Whitaker

The use of local detectors and descriptors in typical computer vision pipelines work well until variations in viewpoint and appearance change become extreme. Past research in this area has typically focused on one of two approaches to this…

Computer Vision and Pattern Recognition · Computer Science 2022-03-25 Udit Singh Parihar , Aniket Gujarathi , Kinal Mehta , Satyajit Tourani , Sourav Garg , Michael Milford , K. Madhava Krishna

Statistical shape modeling (SSM) is a powerful computational framework for quantifying and analyzing the geometric variability of anatomical structures, facilitating advancements in medical research, diagnostics, and treatment planning.…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Krithika Iyer , Jadie Adams , Shireen Y. Elhabian

Modern approaches for fast retrieval of similar vectors on billion-scaled datasets rely on compressed-domain approaches such as binary sketches or product quantization. These methods minimize a certain loss, typically the mean squared error…

Computer Vision and Pattern Recognition · Computer Science 2022-02-23 Kenza Amara , Matthijs Douze , Alexandre Sablayrolles , Hervé Jégou

Functional or non-coding RNAs are attracting more attention as they are now potentially considered valuable resources in the development of new drugs intended to cure several human diseases. The identification of drugs targeting the…

Genomics · Quantitative Biology 2019-12-25 Muhammad Nabeel Asima , Muhammad Imran Malik , Andreas Dengela , Sheraz Ahmed

We present a framework for discriminative sequence classification where the learner works directly in the high dimensional predictor space of all subsequences in the training set. This is possible by employing a new coordinate-descent…

Machine Learning · Computer Science 2010-08-04 Georgiana Ifrim , Carsten Wiuf

Predicting interactions between biomolecules, such as protein-protein complexes, remains a challenging problem. Despite the many advancements done so far, the performances of docking protocols are deeply dependent on their capability of…

Biomolecules · Quantitative Biology 2025-08-19 Greta Grassmann , Lorenzo Di Rienzo , Giancarlo Ruocco , Mattia Miotto , Edoardo Milanetti

Image registration is a fundamental task that aligns anatomical structures between images. While CNNs perform well, they lack rotation equivariance - a rotated input does not produce a correspondingly rotated output. This hinders…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Arghavan Rezvani , Kun Han , Anthony T. Wu , Pooya Khosravi , Xiaohui Xie

Dictionary learning and sparse representation (DLSR) is a recent and successful mathematical model for data representation that achieves state-of-the-art performance in various fields such as pattern recognition, machine learning, computer…

Computer Vision and Pattern Recognition · Computer Science 2015-02-23 Mehrdad J. Gangeh , Ahmed K. Farahat , Ali Ghodsi , Mohamed S. Kamel

One aim of dimensionality reduction is to discover the main factors that explain the data, and as such is paramount to many applications. When working with high dimensional data, autoencoders offer a simple yet effective approach to learn…

Machine Learning · Computer Science 2025-08-29 Benjamin Couéraud , Vikram Sunkara , Christof Schütte

We extend our work for compression of currents and varifolds to a compression algorithm for the embedded normal cycles representation of shape, restricted to the constant normal kernel case, using the Nystrom approximation in Reproducing…

Numerical Analysis · Mathematics 2026-05-26 Allen Paul , Neill Campbell , Tony Shardlow

Correspondence-based shape models are key to various medical imaging applications that rely on a statistical analysis of anatomies. Such shape models are expected to represent consistent anatomical features across the population for…

Computer Vision and Pattern Recognition · Computer Science 2021-02-23 Praful Agrawal , Ross T. Whitaker , Shireen Y. Elhabian

High-dimensional statistical inference deals with models in which the the number of parameters p is comparable to or larger than the sample size n. Since it is usually impossible to obtain consistent procedures unless $p/n\rightarrow0$, a…

Statistics Theory · Mathematics 2013-03-13 Sahand N. Negahban , Pradeep Ravikumar , Martin J. Wainwright , Bin Yu

A Point Distribution Model (PDM) is the basis of a Statistical Shape Model (SSM) that relies on a set of landmark points to represent a shape and characterize the shape variation. In this work, we present a self-supervised approach to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-10 Chun-Hung Chao , Marc Niethammer

Medical images can be decomposed into normal and abnormal features, which is considered as the compositionality. Based on this idea, we propose an encoder-decoder network to decompose a medical image into two discrete latent codes: a normal…

Image and Video Processing · Electrical Eng. & Systems 2020-11-13 Kazuma Kobayashi , Ryuichiro Hataya , Yusuke Kurose , Tatsuya Harada , Ryuji Hamamoto

We present a fast learning-based algorithm for deformable, pairwise 3D medical image registration. Current registration methods optimize an objective function independently for each pair of images, which can be time-consuming for large…

Computer Vision and Pattern Recognition · Computer Science 2019-03-14 Guha Balakrishnan , Amy Zhao , Mert R. Sabuncu , John Guttag , Adrian V. Dalca

The shape of a molecule determines its physicochemical and biological properties. However, it is often underrepresented in standard molecular representation learning approaches. Here, we propose using the Euler Characteristic Transform…

Machine Learning · Computer Science 2025-07-08 Victor Toscano-Duran , Florian Rottach , Bastian Rieck

We propose a novel cascaded framework, namely deep deformation network (DDN), for localizing landmarks in non-rigid objects. The hallmarks of DDN are its incorporation of geometric constraints within a convolutional neural network (CNN)…

Computer Vision and Pattern Recognition · Computer Science 2016-07-26 Xiang Yu , Feng Zhou , Manmohan Chandraker
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