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Inspired by the success of deep learning techniques in the physical and chemical sciences, we apply a modification of an autoencoder type deep neural network to the task of dimension reduction of molecular dynamics data. We can show that…

Machine Learning · Statistics 2018-04-04 Christoph Wehmeyer , Frank Noé

Detecting and segmenting human skin regions in digital images is an intensively explored topic of computer vision with a variety of approaches proposed over the years that have been found useful in numerous practical applications. The first…

Computer Vision and Pattern Recognition · Computer Science 2025-03-19 Patryk Kuban , Michal Kawulok

I present a strategy for unsupervised manifold learning on local atomic environments in molecular simulations based on simple rotation- and permutation-invariant three-body features. These features are highly descriptive, generalize to…

Materials Science · Physics 2023-01-03 Wesley F. Reinhart

Unsupervised clustering is one of the most fundamental challenges in machine learning. A popular hypothesis is that data are generated from a union of low-dimensional nonlinear manifolds; thus an approach to clustering is identifying and…

Machine Learning · Computer Science 2017-12-27 Dejiao Zhang , Yifan Sun , Brian Eriksson , Laura Balzano

We introduce a framework for recovering an image from its rotationally and translationally invariant features based on autocorrelation analysis. This work is an instance of the multi-target detection statistical model, which is mainly used…

Image and Video Processing · Electrical Eng. & Systems 2022-03-03 Nicholas F. Marshall , Ti-Yen Lan , Tamir Bendory , Amit Singer

We introduce a simple, fast, and easy to implement unsupervised learning algorithm for detecting different local environments on a single-particle level in colloidal systems. In this algorithm, we use a vector of standard bond-orientational…

Soft Condensed Matter · Physics 2020-01-08 Emanuele Boattini , Marjolein Dijkstra , Laura Filion

Autoencoders are unsupervised machine learning circuits whose learning goal is to minimize a distortion measure between inputs and outputs. Linear autoencoders can be defined over any field and only real-valued linear autoencoder have been…

Neural and Evolutionary Computing · Computer Science 2014-03-19 Pierre Baldi , Zhiqin Lu

Recent advances in high-throughput sequencing technologies have enabled the extraction of multiple features that depict patient samples at diverse and complementary molecular levels. The generation of such data has led to new challenges in…

Genomics · Quantitative Biology 2022-09-14 Hakim Benkirane , Yoann Pradat , Stefan Michiels , Paul-Henry Cournède

A feature learning task involves training models that are capable of inferring good representations (transformations of the original space) from input data alone. When working with limited or unlabelled data, and also when multiple visual…

Computer Vision and Pattern Recognition · Computer Science 2018-11-02 Gabriel B. Cavallari , Leonardo Sampaio Ferraz Ribeiro , Moacir Antonelli Ponti

Like other applications in computer vision, medical image segmentation has been most successfully addressed using deep learning models that rely on the convolution operation as their main building block. Convolutions enjoy important…

Image and Video Processing · Electrical Eng. & Systems 2022-04-05 Davood Karimi , Serge Vasylechko , Ali Gholipour

Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it…

Machine Learning · Computer Science 2018-02-13 Martin Simonovsky , Nikos Komodakis

Cellular Electron CryoTomography (CECT) is a 3D imaging technique that captures information about the structure and spatial organization of macromolecular complexes within single cells, in near-native state and at sub-molecular resolution.…

Quantitative Methods · Quantitative Biology 2018-07-04 Kai Wen Wang , Xiangrui Zeng , Xiaodan Liang , Zhiguang Huo , Eric P. Xing , Min Xu

This paper studies a reconstruction-based approach for weakly-supervised animal detection from aerial images in marine environments. Such an approach leverages an anomaly detection framework that computes metrics directly on the input…

Computer Vision and Pattern Recognition · Computer Science 2023-07-14 Minh-Tan Pham , Hugo Gangloff , Sébastien Lefèvre

This paper addresses the challenges of detecting anomalies in cellular networks in an interpretable way and proposes a new approach using variational autoencoders (VAEs) that learn interpretable representations of the latent space for each…

Machine Learning · Computer Science 2023-06-29 Amandeep Singh , Michael Weber , Markus Lange-Hegermann

Macromolecular and biomolecular folding landscapes typically contain high free energy barriers that impede efficient sampling of configurational space by standard molecular dynamics simulation. Biased sampling can artificially drive the…

Biological Physics · Physics 2018-11-01 Wei Chen , Andrew L Ferguson

In this work we introduce Deforming Autoencoders, a generative model for images that disentangles shape from appearance in an unsupervised manner. As in the deformable template paradigm, shape is represented as a deformation between a…

Computer Vision and Pattern Recognition · Computer Science 2018-06-19 Zhixin Shu , Mihir Sahasrabudhe , Alp Guler , Dimitris Samaras , Nikos Paragios , Iasonas Kokkinos

Ultrasound imaging is challenging to interpret due to non-uniform intensities, low contrast, and inherent artifacts, necessitating extensive training for non-specialists. Advanced representation with clear tissue structure separation could…

Computer Vision and Pattern Recognition · Computer Science 2024-08-06 Oleksandra Tmenova , Yordanka Velikova , Mahdi Saleh , Nassir Navab

Feature descriptors involved in image processing are generally manually chosen and high dimensional in nature. Selecting the most important features is a very crucial task for systems like facial expression recognition. This paper…

Computer Vision and Pattern Recognition · Computer Science 2018-01-26 Muhammad Usman , Siddique Latif , Junaid Qadir

Automated segmentation approaches are crucial to quantitatively analyze large-scale 3D microscopy images. Particularly in deep tissue regions, automatic methods still fail to provide error-free segmentations. To improve the segmentation…

Computer Vision and Pattern Recognition · Computer Science 2017-10-19 Johannes Stegmaier , Thiago V. Spina , Alexandre X. Falcão , Andreas Bartschat , Ralf Mikut , Elliot Meyerowitz , Alexandre Cunha

Weakly supervised point cloud semantic segmentation methods that require 1\% or fewer labels, hoping to realize almost the same performance as fully supervised approaches, which recently, have attracted extensive research attention. A…

Computer Vision and Pattern Recognition · Computer Science 2022-09-19 Tianfang Sun , Zhizhong Zhang , Xin Tan , Yanyun Qu , Yuan Xie , Lizhuang Ma