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We propose an effective method for removing thermal vibrations that complicate the task of analyzing complex dynamics in atomistic simulation of condensed matter. Our method iteratively subtracts thermal noises or perturbations in atomic…

Materials Science · Physics 2023-05-04 Tim Hsu , Babak Sadigh , Nicolas Bertin , Cheol Woo Park , James Chapman , Vasily Bulatov , Fei Zhou

The identification and classification of different phases of ice within molecular simulations is a challenging task due to the complex and varied phase space of ice, which includes numerous crystalline and amorphous forms. Traditional order…

Soft Condensed Matter · Physics 2024-10-01 Dibyendu Maity , Suman Chakrabarty

Cryo-electron microscopy (cryo-EM) enables single-particle analysis of biological macromolecules under strict low-dose imaging conditions, but the resulting micrographs often exhibit extremely low signal-to-noise ratios and weak particle…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Xiaoqi Wu , Xueying Zhan , Wen Li , Junhao Wu , Xin Huang , Min Xu

We use machine learning algorithms to detect the crystalline phase in undercooled melts in molecular dynamics simulations. Our classification method is based on local conformation and environmental fingerprints of individual monomers. In…

Soft Condensed Matter · Physics 2023-11-02 Atmika Bhardwaj , Jens-Uwe Sommer , Marco Werner

Atomistic simulations generate large volumes of noisy structural data, yet extracting phase labels and continuous order parameters (OPs) in a robust and general manner remains challenging. Existing tools are often specialized to a limited…

Materials Science · Physics 2026-05-12 Hyuna Kwon , Babak Sadigh , Sebastien Hamel , Vincenzo Lordi , John Klepeis , Fei Zhou

Sea ice plays a critical role in the global climate system and maritime operations, making timely and accurate classification essential. However, traditional manual methods are time-consuming, costly, and have inherent biases. Automating…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Samira Alkaee Taleghan , Andrew P. Barrett , Walter N. Meier , Farnoush Banaei-Kashani

Sonar based audio classification techniques are a growing area of research in the field of underwater acoustics. Usually, underwater noise picked up by passive sonar transducers contains all types of signals that travel through the ocean…

Sound · Computer Science 2024-10-31 Noel Elias

Machine-learning driven models have proven to be powerful tools for the identification of phases of matter. In particular, unsupervised methods hold the promise to help discover new phases of matter without the need for any prior…

As a class of generative artificial intelligence frameworks inspired by statistical physics, diffusion models have shown extraordinary performance in synthesizing complicated data distributions through a denoising process gradually guided…

Machine Learning · Computer Science 2026-04-23 Fangjun Hu , Guangkuo Liu , Yifan F. Zhang , Xun Gao

Sequential change-point detection plays a critical role in numerous real-world applications, where timely identification of distributional shifts can greatly mitigate adverse outcomes. Classical methods commonly rely on parametric density…

Machine Learning · Statistics 2025-01-23 Wenbin Zhou , Liyan Xie , Zhigang Peng , Shixiang Zhu

Point cloud denoising task aims to recover the clean point cloud from the scanned data coupled with different levels or patterns of noise. The recent state-of-the-art methods often train deep neural networks to update the point locations…

Computer Vision and Pattern Recognition · Computer Science 2025-09-19 Zhaonan Wang , Manyi Li , ShiQing Xin , Changhe Tu

The zeros of the spectrogram have proven to be a relevant feature to describe the time-frequency structure of a signal, originated by the destructive interference between components in the time-frequency plane. In this work, a…

Signal Processing · Electrical Eng. & Systems 2022-10-12 Juan M. Miramont , François Auger , Marcelo A. Colominas , Nils Laurent , Sylvain Meignen

Seismic data denoising is an important part of seismic data processing, which directly relate to the follow-up processing of seismic data. In terms of this issue, many authors proposed many methods based on rank reduction, sparse…

Geophysics · Physics 2024-08-27 Xueting Yang , Yong Li , Zhangquan Liao , Yingtian Liu , Junheng Peng

Sea ice, crucial to the Arctic and Earth's climate, requires consistent monitoring and high-resolution mapping. Manual sea ice mapping, however, is time-consuming and subjective, prompting the need for automated deep learning-based…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Behzad Vahedi , Benjamin Lucas , Farnoush Banaei-Kashani , Andrew P. Barrett , Walter N. Meier , Siri Jodha Khalsa , Morteza Karimzadeh

Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…

Materials Science · Physics 2022-04-05 Heejung Chung , Rodrigo Freitas , Gowoon Cheon , Evan J. Reed

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

Applications · Statistics 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

Learning-based methods commonly treat state estimation in robotics as a sequence modeling problem. While this paradigm can be effective at maximizing end-to-end performance, models are often difficult to interpret and expensive to train,…

Robotics · Computer Science 2026-05-07 Lennart Röstel , Berthold Bäuml

We investigate the efficient learning of magnetic phases using artificial neural networks trained on synthetic data, combining computational simplicity with physics-informed strategies. Focusing on the diluted Ising model, which lacks an…

Strongly Correlated Electrons · Physics 2026-04-29 Agustin Medina , Marcelo Arlego , Carlos A. Lamas

In recent years, developing unsupervised machine learning for identifying phase transition is a research direction. In this paper, we introduce a two-times clustering method that can help select perfect configurations from a set of…

Disordered Systems and Neural Networks · Physics 2023-05-30 Nan Wu , Zhuohan Li , Wanzhou Zhang

Observations of neutron stars may be used to study aspects of extremely dense matter, specifically a possibility of phase transitions to exotic states, such as de-confined quarks. We present a novel data analysis method for detecting…

High Energy Astrophysical Phenomena · Physics 2022-12-21 Filip Morawski , Michał Bejger
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