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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

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

New advancements in radio data post-processing are underway within the SKA precursor community, aiming to facilitate the extraction of scientific results from survey images through a semi-automated approach. Several of these developments…

Topology identification comprises reconstructing the interaction Hamiltonian of a quantum network by properly processing measurements of its density operator within a fixed time interval. It finds application in several quantum technology…

Quantum Physics · Physics 2022-11-23 Stefano Gherardini , Henk J. van Waarde , Pietro Tesi , Filippo Caruso

Automata learning is a successful tool for many application domains such as robotics and automatic verification. Typically, automata learning techniques operate in a supervised learning setting (active or passive) where they learn a finite…

Machine Learning · Computer Science 2025-08-25 Simon Lutz , Daniil Kaminskyi , Florian Wittbold , Simon Dierl , Falk Howar , Barbara König , Emmanuel Müller , Daniel Neider

One-class classification has been a prevailing method in building deep anomaly detection models under the assumption that a dataset consisting of normal samples is available. In practice, however, abnormal samples are often mixed in a…

Machine Learning · Computer Science 2023-02-14 Minkyung Kim , Junsik Kim , Jongmin Yu , Jun Kyun Choi

Anomalies are samples that significantly deviate from the rest of the data and their detection plays a major role in building machine learning models that can be reliably used in applications such as data-driven design and novelty…

Machine Learning · Statistics 2023-06-19 Amin Yousefpour , Mehdi Shishehbor , Zahra Zanjani Foumani , Ramin Bostanabad

Inferring topological and geometrical information from data can offer an alternative perspective on machine learning problems. Methods from topological data analysis, e.g., persistent homology, enable us to obtain such information,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-19 Christoph Hofer , Roland Kwitt , Marc Niethammer , Andreas Uhl

The recently proposed Atomistic Structure Learning Algorithm (ASLA) builds on neural network enabled image recognition and reinforcement learning. It enables fully autonomous structure determination when used in combination with a…

Atomic electron tomography (AET) enables the determination of 3D atomic structures by acquiring a sequence of 2D tomographic projection measurements of a particle and then computationally solving for its underlying 3D representation.…

Image and Video Processing · Electrical Eng. & Systems 2025-12-18 Nalini M. Singh , Tiffany Chien , Arthur R. C. McCray , Colin Ophus , Laura Waller

Topological data analysis (TDA) detects geometric structure in biological data. However, many TDA algorithms are memory intensive and impractical for massive datasets. Here, we introduce a statistical protocol that reduces TDA's memory…

Quantitative Methods · Quantitative Biology 2025-09-05 Andrew J. Stier , Naichen Shi , Raed Al Kontar , Chad Giusti , Marc G. Berman

Topological data analysis (TDA) is a relatively new field that is gaining rapid adoption due to its robustness and ability to effectively describe complex datasets by quantifying geometric information. In imaging contexts, TDA typically…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Aaryam Sharma

Finding proper collective variables for complex systems and processes is one of the most challenging tasks in simulations, which limits the interpretation of experimental and simulated data and the application of enhanced sampling…

We propose a new scientific application of unsupervised learning techniques to boost our ability to search for new phenomena in data, by detecting discrepancies between two datasets. These could be, for example, a simulated standard-model…

High Energy Physics - Phenomenology · Physics 2019-04-11 Andrea De Simone , Thomas Jacques

Anomaly detection is being regarded as an unsupervised learning task as anomalies stem from adversarial or unlikely events with unknown distributions. However, the predictive performance of purely unsupervised anomaly detection often fails…

Machine Learning · Computer Science 2014-01-27 Nico Goernitz , Marius Micha Kloft , Konrad Rieck , Ulf Brefeld

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

Machine Learning · Computer Science 2026-02-11 Cheng Zeng , Zulqarnain Khan , Nathan L. Post

The rise of AI-powered classification techniques has ushered in a new era for data-driven Fault Detection and Diagnosis in smart building systems. While extensive research has championed supervised FDD approaches, the real-world application…

Systems and Control · Electrical Eng. & Systems 2023-12-19 Farivar Rajabi , J. J. McArthur

Existing unsupervised methods for keypoint learning rely heavily on the assumption that a specific keypoint type (e.g. elbow, digit, abstract geometric shape) appears only once in an image. This greatly limits their applicability, as each…

Computer Vision and Pattern Recognition · Computer Science 2023-01-16 Yuhe Jin , Weiwei Sun , Jan Hosang , Eduard Trulls , Kwang Moo Yi

Recent advances in unsupervised domain adaptation (UDA) show that transferable prototypical learning presents a powerful means for class conditional alignment, which encourages the closeness of cross-domain class centroids. However, the…

Computer Vision and Pattern Recognition · Computer Science 2021-01-12 Xiaofeng Liu , Xiongchang Liu , Bo Hu , Wenxuan Ji , Fangxu Xing , Jun Lu , Jane You , C. -C. Jay Kuo , Georges El Fakhri , Jonghye Woo

The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In…

Materials Science · Physics 2025-04-14 Yuxuan Zeng , Wenhao Xie , Wei Cao , Tan Peng , Yue Hou , Ziyu Wang , Jing Shi