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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…

材料科学 · 物理学 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…

生物物理 · 物理学 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…

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…

计算物理 · 物理学 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…

机器学习 · 计算机科学 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…

强关联电子 · 物理学 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,…

量子物理 · 物理学 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…

机器学习 · 统计学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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,…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

流体动力学 · 物理学 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…

量子物理 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

量子物理 · 物理学 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…

光学 · 物理学 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…

机器学习 · 计算机科学 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…

介观与纳米尺度物理 · 物理学 2026-04-20 Mahyar Hassani-Vasmejani , Hosein Alavi-Rad , Meysam Bagheri Tagani