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Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamics (MD) simulations are computationally infeasible because of…

Machine Learning · Computer Science 2025-01-28 Kiyoung Seong , Seonghyun Park , Seonghwan Kim , Woo Youn Kim , Sungsoo Ahn

We identify configurational phases and structural transitions in a polymer nanotube composite by means of machine learning. We employ various unsupervised dimensionality reduction methods, conventional neural networks, as well as the…

Soft Condensed Matter · Physics 2022-04-06 Quinn Parker , Dilina Perera , Ying Wai Li , Thomas Vogel

The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…

Disordered Systems and Neural Networks · Physics 2025-01-14 Djenabou Bayo , Burak Çivitcioğlu , Joseph J Webb , Andreas Honecker , Rudolf A. Römer

Identifying phase boundaries of interacting systems is one of the key steps to understanding quantum many-body models. The development of various numerical and analytical methods has allowed exploring the phase diagrams of many Hermitian…

Quantum Physics · Physics 2024-02-08 Sharareh Sayyad , Jose L. Lado

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

The last two decades have seen an explosive growth in the theory and practice of both quantum computing and machine learning. Modern machine learning systems process huge volumes of data and demand massive computational power. As silicon…

Quantum Physics · Physics 2020-06-23 Viraj Kulkarni , Milind Kulkarni , Aniruddha Pant

The detection of quantum and classical phase transitions in the absence of an order parameter is possible using the Fisher information metric (FIM), also known as fidelity susceptibility. Here, we propose and investigate an unsupervised…

Quantum Physics · Physics 2024-08-27 Victor Kasatkin , Evgeny Mozgunov , Nicholas Ezzell , Daniel Lidar

The rapid progress in quantum computing (QC) and machine learning (ML) has attracted growing attention, prompting extensive research into quantum machine learning (QML) algorithms to solve diverse and complex problems. Designing…

Quantum Physics · Physics 2025-01-13 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

Modeling non-stationary data is a challenging problem in the field of continual learning, and data distribution shifts may result in negative consequences on the performance of a machine learning model. Classic learning tools are often…

Machine Learning · Computer Science 2024-10-23 Sebastián Basterrech , Line Clemmensen , Gerardo Rubino

As ultracold atom experiments become highly controlled and scalable quantum simulators, they require sophisticated control over high-dimensional parameter spaces and generate increasingly complex measurement data that need to be analyzed…

Quantum Gases · Physics 2025-09-11 Henning Schlömer , Annabelle Bohrdt

Understanding and representing the structure of 3D objects in an unsupervised manner remains a core challenge in computer vision and graphics. Most existing unsupervised keypoint methods are not designed for unconditional generative…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Rhys Newbury , Juyan Zhang , Tin Tran , Hanna Kurniawati , Dana Kulić

Accurate estimation of the states of a nonlinear dynamical system is crucial for their design, synthesis, and analysis. Particle filters are estimators constructed by simulating trajectories from a sampling distribution and averaging them…

Signal Processing · Electrical Eng. & Systems 2023-02-03 Fernando Gama , Nicolas Zilberstein , Martin Sevilla , Richard Baraniuk , Santiago Segarra

Quantum information technologies provide promising applications in communication and computation, while machine learning has become a powerful technique for extracting meaningful structures in 'big data'. A crossover between quantum…

Machine learning models are used for pattern recognition analysis of big data, without direct human intervention. The task of unsupervised learning is to find the probability distribution that would best describe the available data, and…

Quantum Physics · Physics 2026-05-14 Apoorva D. Patel

The classification of phases and the detection of phase transitions are central and challenging tasks in diverse fields. Within physics, it relies on the identification of order parameters and the analysis of singularities in the free…

We investigate theoretically the phase transition in three dimensional cubic Ising model utilizing state-of-the-art machine learning algorithms. Supervised machine learning models show high accuracies (~99\%) in phase classification and…

Disordered Systems and Neural Networks · Physics 2019-03-21 Rui Zhang , Bin Wei , Dong Zhang , Jia-Ji Zhu , Kai Chang

Classifying phases of matter is a central problem in physics. For quantum mechanical systems, this task can be daunting owing to the exponentially large Hilbert space. Thanks to the available computing power and access to ever larger data…

Disordered Systems and Neural Networks · Physics 2017-02-16 Evert P. L. van Nieuwenburg , Ye-Hua Liu , Sebastian D. Huber

Pushing forward the understanding of general non-unitary dynamics in controlled quantum platforms has been fueled by the recent discovery of measurement-induced phases and phase transitions. So far, these transitions remained largely…

Disordered Systems and Neural Networks · Physics 2022-08-24 M. Buchhold , T. Müller , S. Diehl

Phase is a fundamental resource for optical imaging but cannot be directly observed with intensity measurements. The existing methods to quantify a phase distribution rely on complex devices and structures. Here we experimentally…

Optics · Physics 2020-03-25 Tengfeng Zhu , Junyi Huang , Zhichao Ruan

Quantifying and verifying the control level in preparing a quantum state are central challenges in building quantum devices. The quantum state is characterized from experimental measurements, using a procedure known as tomography, which…

Quantum Physics · Physics 2021-12-28 Quoc Hoan Tran , Kohei Nakajima
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