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I present a strategy for unsupervised manifold learning on local atomic environments in molecular simulations based on simple rotation- and permutation-invariant three-body features. These features are highly descriptive, generalize to…

Materials Science · Physics 2023-01-03 Wesley F. Reinhart

In this report, we present an unsupervised machine learning method for determining groups of molecular systems according to similarity in their dynamics or structures using Ward's minimum variance objective function. We first apply the…

Biological Physics · Physics 2017-12-22 Brooke E. Husic , Vijay S. Pande

We demonstrate that supervised machine learning (ML) with entanglement spectrum can give useful information for constructing phase diagram in the half-filled one-dimensional extended Hubbard model. Combining ML with infinite-size…

Strongly Correlated Electrons · Physics 2019-05-16 Kazuya Shinjo , Kakeru Sasaki , Satoru Hase , Shigetoshi Sota , Satoshi Ejima , Seiji Yunoki , Takami Tohyama

Experimental data is often affected by uncontrolled variables that make analysis and interpretation difficult. For spatiotemporal systems, this problem is further exacerbated by their intricate dynamics. Modern machine learning methods are…

Computational Physics · Physics 2020-09-16 Peter Y. Lu , Samuel Kim , Marin Soljačić

Neural population activity often exhibits regime-dependent non-stationarity in the form of switching dynamics. Learning accurate switching dynamical system models can reveal how behavior is encoded in neural activity. Existing switching…

Machine Learning · Computer Science 2025-12-16 DongKyu Kim , Han-Lin Hsieh , Maryam M. Shanechi

Topological insulators and topological superconductors display various topological phases that are characterized by different Chern numbers or by gapless edge states. In this work we show that various quantum information methods such as the…

Strongly Correlated Electrons · Physics 2015-03-18 T. P. Oliveira , P. D. Sacramento

One of the most promising applications of quantum computing is simulating quantum many-body systems. However, there is still a need for methods to efficiently investigate these systems in a native way, capturing their full complexity. Here,…

Quantum Physics · Physics 2022-01-07 Korbinian Kottmann , Friederike Metz , Joana Fraxanet , Niccolo Baldelli

Convolutional networks have marked their place over the last few years as the best performing model for various visual tasks. They are, however, most suited for supervised learning from large amounts of labeled data. Previous attempts have…

Machine Learning · Statistics 2016-11-23 Elad Hoffer , Itay Hubara , Nir Ailon

Understanding and predicting video content is essential for planning and reasoning in dynamic environments. Despite advancements, unsupervised learning of object representations and dynamics remains challenging. We present VideoPCDNet, an…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Noel José Rodrigues Vicente , Enrique Lehner , Angel Villar-Corrales , Jan Nogga , Sven Behnke

The goal of self-supervised visual representation learning is to learn strong, transferable image representations, with the majority of research focusing on object or scene level. On the other hand, representation learning at part level has…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Subhabrata Choudhury , Iro Laina , Christian Rupprecht , Andrea Vedaldi

Data representations that contain all the information about target variables but are invariant to nuisance factors benefit supervised learning algorithms by preventing them from learning associations between these factors and the targets,…

Machine Learning · Computer Science 2018-09-27 Ayush Jaiswal , Yue Wu , Wael AbdAlmageed , Premkumar Natarajan

Finding correspondences between structural entities decomposing images is of high interest for computer vision applications. In particular, we analyze how to accurately track superpixels - visual primitives generated by aggregating adjacent…

Computer Vision and Pattern Recognition · Computer Science 2019-02-27 Pierre-Henri Conze , Florian Tilquin , Mathieu Lamard , Fabrice Heitz , Gwenolé Quellec

Recent attempts to use deep learning for super-resolution reconstruction of turbulent flows have used supervised learning, which requires paired data for training. This limitation hinders more practical applications of super-resolution…

Fluid Dynamics · Physics 2021-02-03 Hyojin Kim , Junhyuk Kim , Sungjin Won , Changghoon Lee

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

Object parts serve as crucial intermediate representations in various downstream tasks, but part-level representation learning still has not received as much attention as other vision tasks. Previous research has established that Vision…

Computer Vision and Pattern Recognition · Computer Science 2024-08-16 Jiahao Xia , Wenjian Huang , Min Xu , Jianguo Zhang , Haimin Zhang , Ziyu Sheng , Dong Xu

Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…

In this thesis, we investigate whether quantum algorithms can be used in the field of machine learning for both long and near term quantum computers. We will first recall the fundamentals of machine learning and quantum computing and then…

Quantum Physics · Physics 2021-11-08 Jonas Landman

Diffractive optical networks unify wave optics and deep learning to all-optically compute a given machine learning or computational imaging task as the light propagates from the input to the output plane. Here, we report the design of…

Optics · Physics 2022-05-23 Deniz Mengu , Muhammed Veli , Yair Rivenson , Aydogan Ozcan

Unsupervised machine learning methods can be of great help in many traditional engineering disciplines, where huge amount of labeled data is not readily available or is extremely difficult or costly to generate. Two specific examples…

Machine Learning · Computer Science 2020-07-21 Raj Kishore , Zohar Nussinov , Kisor Kumar Sahu

The landscape of condensed matter physics is facing an unprecedented data surge driven by high-throughput ab initio workflows and rapidly expanding experimental datasets. Traditional first-principles methods such as Density Functional…

Mesoscale and Nanoscale Physics · Physics 2026-04-20 Mahyar Hassani-Vasmejani , Hosein Alavi-Rad , Meysam Bagheri Tagani