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Understanding how neural networks learn remains one of the central challenges in machine learning research. From random at the start of training, the weights of a neural network evolve in such a way as to be able to perform a variety of…

Machine Learning · Computer Science 2020-10-28 Maxime Gabella

We explore the perspectives of machine learning techniques in the context of quantum field theories. In particular, we discuss two-dimensional complex scalar field theory at nonzero temperature and chemical potential -- a theory with a…

High Energy Physics - Lattice · Physics 2019-07-17 Kai Zhou , Gergely Endrődi , Long-Gang Pang , Horst Stöcker

Graph Neural Networks (GNNs) excel at learning from graph-structured data but are limited to modeling pairwise interactions, insufficient for capturing higher-order relationships present in many real-world systems. Topological Deep Learning…

Neural and Evolutionary Computing · Computer Science 2025-01-13 Simone Piperno , Claudio Battiloro , Andrea Ceschini , Francesca Dominici , Paolo Di Lorenzo , Massimo Panella

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

Quantum convolutional neural networks (QCNNs) are quantum circuits for characterizing complex quantum states. They have been proposed for recognizing quantum phases of matter at low sampling cost and have been designed for condensed matter…

Quantum Physics · Physics 2025-11-11 Leon C. Sander , Nathan A. McMahon , Petr Zapletal , Michael J. Hartmann

Non-Hermitian topological phases have gained widespread interest due to their unconventional properties, which have no Hermitian counterparts. In this work, we propose to use machine learning to identify and predict non-Hermitian…

Mesoscale and Nanoscale Physics · Physics 2021-02-11 Brajesh Narayan , Awadhesh Narayan

Current Deep Learning approaches have been very successful using convolutional neural networks (CNN) trained on large graphical processing units (GPU)-based computers. Three limitations of this approach are: 1) they are based on a simple…

Neural and Evolutionary Computing · Computer Science 2017-07-17 Thomas E. Potok , Catherine Schuman , Steven R. Young , Robert M. Patton , Federico Spedalieri , Jeremy Liu , Ke-Thia Yao , Garrett Rose , Gangotree Chakma

We present a precise computation of the topological charge distribution in the $SU(3)$ Yang-Mills theory. It is carried out on the lattice with high statistics Monte Carlo simulations by employing the clover discretization of the field…

High Energy Physics - Lattice · Physics 2014-10-31 Marco Cè , Cristian Consonni , Georg P. Engel , Leonardo Giusti

We study, for $SU(2)$ Yang-Mills theories discretized on a lattice, a non-local topological order parameter, the center flux ${{z}}$. We show that: i) well defined topological sectors classified by $\pi_1(SO(3))=\mathbb{Z}_2$ can only exist…

High Energy Physics - Lattice · Physics 2015-06-23 Giuseppe Burgio , Hugo Reinhardt

We set the scale of SU($N$) Yang--Mills theories for $N=3,5,8$ and in the large-$N$ limit via gradient flow, as a first step towards the computation of the large-$N$ $\Lambda$-parameter using step scaling. We adopt twisted boundary…

High Energy Physics - Lattice · Physics 2026-04-06 Claudio Bonanno , Jorge Luis Dasilva Golán , Margarita García Pérez , Massimo D'Elia , Andrea Giorgieri

Machine learning for point clouds has been attracting much attention, with many applications in various fields, such as shape recognition and material science. For enhancing the accuracy of such machine learning methods, it is often…

Machine Learning · Computer Science 2023-12-29 Naoki Nishikawa , Yuichi Ike , Kenji Yamanishi

Recent progress in building large-scale quantum devices for exploring quantum computing and simulation paradigms has relied upon effective tools for achieving and maintaining good experimental parameters, i.e. tuning up devices. In many…

Characterizing the loss of a neural network with respect to model parameters, i.e., the loss landscape, can provide valuable insights into properties of that model. Various methods for visualizing loss landscapes have been proposed, but…

Fixed point lattice actions are designed to have continuum classical properties unaffected by discretization effects and reduced lattice artifacts at the quantum level. They provide a possible way to extract continuum physics with coarser…

High Energy Physics - Lattice · Physics 2024-10-04 Kieran Holland , Andreas Ipp , David I. Müller , Urs Wenger

Recently, in the paper "Weight Agnostic Neural Networks" Gaier & Ha utilized architecture search to find networks where the topology completely encodes the knowledge. However, architecture search in topology space is expensive. We use the…

Machine Learning · Computer Science 2020-05-05 Amey Agrawal , Rohit Karlupia

We consider a family of deep neural networks consisting of two groups of convolutional layers, a downsampling operator, and a fully connected layer. The network structure depends on two structural parameters which determine the numbers of…

Machine Learning · Computer Science 2021-07-05 Tong Mao , Zhongjie Shi , Ding-Xuan Zhou

Complex prediction models such as deep learning are the output from fitting machine learning, neural networks, or AI models to a set of training data. These are now standard tools in science. A key challenge with the current generation of…

Machine Learning · Computer Science 2022-10-21 Meng Liu , Tamal K. Dey , David F. Gleich

We use HIP-NN, a neural network architecture that excels at predicting molecular energies, to predict atomic charges. The charge predictions are accurate over a wide range of molecules (both small and large) and for a diverse set of charge…

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

We study $\theta$ dependence of the vacuum energy for the 4d SU(2) pure Yang-Mills theory by lattice numerical simulations. The response of topological excitations to the smearing procedure is investigated in detail, in order to extract…

High Energy Physics - Lattice · Physics 2021-02-24 Ryuichiro Kitano , Norikazu Yamada , Masahito Yamazaki
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