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This review summarizes popular unsupervised learning methods, and gives an overview of their past, current, and future uses in astronomy. Unsupervised learning aims to organise the information content of a dataset, in such a way that…

Instrumentation and Methods for Astrophysics · Physics 2024-06-26 Sotiria Fotopoulou

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

In spectral clustering and spectral image segmentation, the data is partioned starting from a given matrix of pairwise similarities S. the matrix S is constructed by hand, or learned on a separate training set. In this paper we show how to…

Machine Learning · Computer Science 2012-07-09 Susan Shortreed , Marina Meila

We present a novel unsupervised learning approach to automatically segment and label images in astronomical surveys. Automation of this procedure will be essential as next-generation surveys enter the petabyte scale: data volumes will…

Instrumentation and Methods for Astrophysics · Physics 2015-07-08 Alex Hocking , James E. Geach , Neil Davey , Yi Sun

Machine Learning algorithms are good tools for both classification and prediction purposes. These algorithms can further be used for scientific discoveries from the enormous data being collected in our era. We present ways of discovering…

Instrumentation and Methods for Astrophysics · Physics 2021-02-26 Shraddha Surana , Yogesh Wadadekar , Divya Oberoi

Tunneling spectroscopy is an important tool for the study of both real-space and momentum-space electronic structure of correlated electron systems. However, such measurements often yield noisy data. Machine learning provides techniques to…

Deep neural networks have gained tremendous success in a broad range of machine learning tasks due to its remarkable capability to learn semantic-rich features from high-dimensional data. However, they often require large-scale labelled…

Computer Vision and Pattern Recognition · Computer Science 2020-07-21 Hu Wang , Guansong Pang , Chunhua Shen , Congbo Ma

Owing to the advances in computational techniques and the increase in computational power, atomistic simulations of materials can simulate large systems with higher accuracy. Complex phenomena can be observed in such state-of-the-art…

Materials Science · Physics 2022-02-16 Ryo Tamura , Momo Matsuda , Jianbo Lin , Yasunori Futamura , Tetsuya Sakurai , Tsuyoshi Miyazaki

Unsupervised machine learning, and in particular data clustering, is a powerful approach for the analysis of datasets and identification of characteristic features occurring throughout a dataset. It is gaining popularity across scientific…

Mesoscale and Nanoscale Physics · Physics 2021-03-23 Maria El Abbassi , Jan Overbeck , Oliver Braun , Michel Calame , Herre S. J. van der Zant , Mickael L. Perrin

We develop an optimization algorithm, using simulated annealing for the quantification of patterns in astronomical data based on techniques developed for robotic vision applications. The methodology falls in the category of cost…

Instrumentation and Methods for Astrophysics · Physics 2020-09-09 Maria Chira , Manolis Plionis

Motivation: Structural heterogeneity in single-particle cryo-electron microscopy (cryo-EM) data represents a major challenge for high-resolution structure determination. Unsupervised classification may serve as the first step in the…

Data Analysis, Statistics and Probability · Physics 2017-11-01 Jiayi Wu , Yong-Bei Ma , Charles Congdon , Bevin Brett , Shuobing Chen , Qi Ouyang , Youdong Mao

Experimental progress in qubit manufacturing calls for the development of new theoretical tools to analyze quantum data. We show how an unsupervised machine-learning technique can be used to understand short-range entangled many-qubit…

Quantum Physics · Physics 2023-03-22 Nicolas Sadoune , Giuliano Giudici , Ke Liu , Lode Pollet

Estimating the parameters of a model describing a set of observations using a neural network is in general solved in a supervised way. In cases when we do not have access to the model's true parameters this approach can not be applied.…

Astrophysics of Galaxies · Physics 2020-09-30 Miguel A. Aragon-Calvo

We have developed a method that maps large astronomical images onto a two-dimensional map and clusters them. A combination of various state-of-the-art machine learning (ML) algorithms is used to develop a fully unsupervised image quality…

Instrumentation and Methods for Astrophysics · Physics 2021-04-28 Hossen Teimoorinia , Sara Shishehchi , Ahnaf Tazwar , Ping Lin , Finn Archinuk , Stephen D. J. Gwyn , J. J. Kavelaars

The study of topological bandstructures is an active area of research in condensed matter physics and beyond. Here, we combine recent progress in this field with developments in machine-learning, another rising topic of interest.…

Mesoscale and Nanoscale Physics · Physics 2020-06-03 Mathias S. Scheurer , Robert-Jan Slager

Detecting structures at the particle scale within plastically deformed crystalline materials allows a better understanding of the occurring phenomena. While previous approaches mostly relied on applying hand-chosen criteria on different…

Materials Science · Physics 2024-05-15 Armand Barbot , Riccardo Gatti

Drawing the quantum phase diagram of a many-body system in the parameter space of its Hamiltonian can be seen as a learning problem, which implies labelling the corresponding ground states according to some classification criterium that…

Quantum Physics · Physics 2025-10-17 Mehran Khosrojerdi , Alessandro Cuccoli , Paola Verrucchi , Leonardo Banchi

Kernel density estimation is a key component of a wide variety of algorithms in machine learning, Bayesian inference, stochastic dynamics and signal processing. However, the unsupervised density estimation technique requires tuning a…

Machine Learning · Computer Science 2025-12-17 Sunia Tanweer , Firas A. Khasawneh

Unsupervised learning has always been appealing to machine learning researchers and practitioners, allowing them to avoid an expensive and complicated process of labeling the data. However, unsupervised learning of complex data is…

Computer Vision and Pattern Recognition · Computer Science 2020-11-10 Evgenii Zheltonozhskii , Chaim Baskin , Alex M. Bronstein , Avi Mendelson

Recent advances in unsupervised learning have highlighted the possibility of learning to reconstruct signals from noisy and incomplete linear measurements alone. These methods play a key role in medical and scientific imaging and sensing,…

Signal Processing · Electrical Eng. & Systems 2024-10-22 Julián Tachella , Laurent Jacques
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