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Progress in the application of machine learning techniques to the prediction of solid-state and molecular materials properties has been greatly facilitated by the development state-of-the-art feature representations and novel deep learning…

Materials Science · Physics 2022-03-21 David E. Sommer , Scott T. Dunham

The continuous effort towards topological quantum devices calls for an efficient and non-invasive method to assess the conformity of components in different topological phases. Here, we show that machine learning paves the way towards…

Disordered Systems and Neural Networks · Physics 2019-01-24 Marcello D. Caio , Marco Caccin , Paul Baireuther , Timo Hyart , Michel Fruchart

Tensor Networks (TN) offer a powerful framework to efficiently represent very high-dimensional objects. TN have recently shown their potential for machine learning applications and offer a unifying view of common tensor decomposition models…

Machine Learning · Computer Science 2021-06-24 Meraj Hashemizadeh , Michelle Liu , Jacob Miller , Guillaume Rabusseau

In this Letter we supervisedly train neural networks to distinguish different topological phases in the context of topological band insulators. After training with Hamiltonians of one-dimensional insulators with chiral symmetry, the neural…

Mesoscale and Nanoscale Physics · Physics 2018-05-31 Pengfei Zhang , Huitao Shen , Hui Zhai

Over the past years, machine learning has emerged as a powerful computational tool to tackle complex problems over a broad range of scientific disciplines. In particular, artificial neural networks have been successfully deployed to…

Quantum Physics · Physics 2021-01-28 Juan Carrasquilla , Giacomo Torlai

Tensor networks were developed in the context of many-body physics as compressed representations of multiparticle quantum states. These representations mitigate the exponential complexity of many-body systems by capturing only the most…

Machine Learning · Computer Science 2026-04-17 Guillermo Valverde , Igor García-Olaizola , Giannicola Scarpa , Alejandro Pozas-Kerstjens

Rigid body interactions are fundamental to numerous scientific disciplines, but remain challenging to simulate due to their abrupt nonlinear nature and sensitivity to complex, often unknown environmental factors. These challenges call for…

Machine Learning · Computer Science 2025-07-28 Amaury Wei , Olga Fink

Despite significant advances in the field of deep learning in ap-plications to various areas, an explanation of the learning pro-cess of neural network models remains an important open ques-tion. The purpose of this paper is a comprehensive…

Machine Learning · Computer Science 2023-06-07 German Magai

There has been growing excitement over the possibility of employing artificial neural networks (ANNs) to gain new theoretical insight into the physics of quantum many-body problems. ``Interpretability'' remains a concern: can we understand…

Disordered Systems and Neural Networks · Physics 2020-12-08 Yi Zhang , Paul Ginsparg , Eun-Ah Kim

Classification and identification of different phases and the transitions between them is a central task in condensed matter physics. Machine learning, which has achieved dramatic success in a wide range of applications, holds the promise…

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

Convolutional neural networks (CNN's) are powerful and widely used tools. However, their interpretability is far from ideal. One such shortcoming is the difficulty of deducing a network's ability to generalize to unseen data. We use…

Computer Vision and Pattern Recognition · Computer Science 2019-10-21 Rickard Brüel Gabrielsson , Gunnar Carlsson

This overview article makes the case for how topological concepts can enrich research in machine learning. Using the Euler Characteristic Transform (ECT), a geometrical-topological invariant, as a running example, I present different use…

Machine Learning · Computer Science 2026-01-16 Bastian Rieck

The resemblance between the methods used in quantum-many body physics and in machine learning has drawn considerable attention. In particular, tensor networks (TNs) and deep learning architectures bear striking similarities to the extent…

Machine Learning · Statistics 2019-08-05 Ding Liu , Shi-Ju Ran , Peter Wittek , Cheng Peng , Raul Blázquez García , Gang Su , Maciej Lewenstein

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

Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new…

The topology of artificial neural networks has a significant effect on their performance. Characterizing efficient topology is a field of promising research in Artificial Intelligence. However, it is not a trivial task and it is mainly…

Neural and Evolutionary Computing · Computer Science 2022-05-23 Fabien Furfaro , Avner Bar-Hen , Geoffroy Berthelot

Topological deep learning is a formalism that is aimed at introducing topological language to deep learning for the purpose of utilizing the minimal mathematical structures to formalize problems that arise in a generic deep learning…

Machine Learning · Computer Science 2021-02-17 Mustafa Hajij , Kyle Istvan

Artificial Neuronal Networks are models widely used for many scientific tasks. One of the well-known field of application is the approximation of high-dimensional problems via Deep Learning. In the present paper we investigate the Deep…

Numerical Analysis · Mathematics 2021-10-06 F. Calabrò , S. Cuomo , F. Giampaolo , S. Izzo , C. Nitsch , F. Piccialli , C. Trombetti

Mechanistic interpretability aims to break models into meaningful parts; verifying that two such parts implement the same computation is a prerequisite. Existing similarity measures evaluate either empirical behaviour, leaving them blind to…

Machine Learning · Computer Science 2026-05-15 ML Nissen Gonzalez , Melwina Albuquerque , Laurence Wroe , Jacob Meyer Cohen , Logan Riggs Smith , Thomas Dooms
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