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Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

Machine-learning-based methods can be developed for the reconstruction of clusters in segmented detectors for high energy physics experiments. Convolutional neural networks with autoencoder architecture trained on labeled data from a…

Instrumentation and Detectors · Physics 2025-06-02 Kalina Dimitrova , Venelin Kozhuharov , Ruslan Nastaev , Peicho Petkov

An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form…

Machine Learning · Computer Science 2025-07-28 Satvik Golechha , Maheep Chaudhary , Joan Velja , Alessandro Abate , Nandi Schoots

Clustering is a class of unsupervised learning methods that has been extensively applied and studied in computer vision. Little work has been done to adapt it to the end-to-end training of visual features on large scale datasets. In this…

Computer Vision and Pattern Recognition · Computer Science 2019-03-19 Mathilde Caron , Piotr Bojanowski , Armand Joulin , Matthijs Douze

Many fields, such as neuroscience, are experiencing the vast proliferation of cellular data, underscoring the need for organizing and interpreting large datasets. A popular approach partitions data into manageable subsets via hierarchical…

Quantitative Methods · Quantitative Biology 2024-03-07 Diek W. Wheeler , Giorgio A. Ascoli

This paper presents a novel clustering concept that is based on jointly learned nonlinear transforms (NTs) with priors on the information loss and the discrimination. We introduce a clustering principle that is based on evaluation of a…

Machine Learning · Computer Science 2019-01-31 Dimche Kostadinov , Behrooz Razeghi , Taras Holotyak , Slava Voloshynovskiy

The answers to many unsolved problems lie in the intractable chemical space of molecules and materials. Machine learning techniques are rapidly growing in popularity as a way to compress and explore chemical space efficiently. One of the…

Chemical Physics · Physics 2020-01-06 John E. Herr , Kevin Koh , Kun Yao , John Parkhill

This paper proposes a novel deep subspace clustering approach which uses convolutional autoencoders to transform input images into new representations lying on a union of linear subspaces. The first contribution of our work is to insert…

Computer Vision and Pattern Recognition · Computer Science 2020-01-24 Mohsen Kheirandishfard , Fariba Zohrizadeh , Farhad Kamangar

We develop a novel clustering method for distributional data, where each data point is regarded as a probability distribution on the real line. For distributional data, it has been challenging to develop a clustering method that utilizes…

Methodology · Statistics 2025-06-24 Ryo Okano , Masaaki Imaizumi

High-dimensional clustering analysis is a challenging problem in statistics and machine learning, with broad applications such as the analysis of microarray data and RNA-seq data. In this paper, we propose a new clustering procedure called…

Methodology · Statistics 2022-10-31 Tianqi Liu , Yu Lu , Biqing Zhu , Hongyu Zhao

Clustering high-dimensional datasets is hard because interpoint distances become less informative in high-dimensional spaces. We present a clustering algorithm that performs nonlinear dimensionality reduction and clustering jointly. The…

Machine Learning · Computer Science 2018-03-06 Sohil Atul Shah , Vladlen Koltun

A new approach suitable for distributed quantum machine learning and exhibiting memory is proposed for a photonic platform. This measurement-based quantum reservoir computing takes advantage of continuous variable cluster states as the main…

We propose an empirical method for identifying low damped modes and corresponding mode shapes using frequency measurements from a Wide Area Monitoring System. The method consists of two main steps: Firstly, Complex Principal Component…

Signal Processing · Electrical Eng. & Systems 2021-02-02 Hallvar Haugdal , Kjetil Uhlen

Electron microscopy is widely used to explore defects in crystal structures, but human detecting of defects is often time-consuming, error-prone, and unreliable, and is not scalable to large numbers of images or real-time analysis. In this…

Semi-Non-negative Matrix Factorization is a technique that learns a low-dimensional representation of a dataset that lends itself to a clustering interpretation. It is possible that the mapping between this new representation and our…

Computer Vision and Pattern Recognition · Computer Science 2015-09-11 George Trigeorgis , Konstantinos Bousmalis , Stefanos Zafeiriou , Bjoern W. Schuller

Data mining techniques, including clustering and classification tasks, for the automatic information extraction from large datasets are increasingly demanded in several scientific fields. In particular, in the astrophysical field, large…

Astrophysics · Physics 2015-06-24 M. Frailis , A. De Angelis , V. Roberto

Learning invariant representations from images is one of the hardest challenges facing computer vision. Spatial pooling is widely used to create invariance to spatial shifting, but it is restricted to convolutional models. In this paper, we…

Computer Vision and Pattern Recognition · Computer Science 2013-03-19 Sainbayar Sukhbaatar , Takaki Makino , Kazuyuki Aihara

We study the potential of weak lensing surveys to detect clusters of galaxies, using a fast Particle Mesh cosmological N-body simulation algorithm specifically tailored to investigate the statistics of these mass-selected clusters. In…

Astrophysics · Physics 2009-11-10 Joseph F. Hennawi , David N. Spergel

In this paper we present a new dynamical systems algorithm for clustering in hyperspectral images. The main idea of the algorithm is that data points are \`pushed\' in the direction of increasing density and groups of pixels that end up in…

Computer Vision and Pattern Recognition · Computer Science 2022-07-22 William F. Basener , Alexey Castrodad , David Messinger , Jennifer Mahle , Paul Prue

Machine learning methods have revolutionized the discovery process of new molecules and materials. However, the intensive training process of neural networks for molecules with ever-increasing complexity has resulted in exponential growth…

Emerging Technologies · Computer Science 2022-12-27 Hui Zhang , Jonathan Wei Zhong Lau , Lingxiao Wan , Liang Shi , Hong Cai , Xianshu Luo , Patrick Lo , Chee-Kong Lee , Leong-Chuan Kwek , Ai Qun Liu
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