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Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…

Chemical Physics · Physics 2022-11-28 Haoyan Huo , Matthias Rupp

Tensors, or multi-linear forms, are important objects in a variety of areas from analytics, to combinatorics, to computational complexity theory. Notions of tensor rank aim to quantify the "complexity" of these forms, and are thus also…

Computational Complexity · Computer Science 2023-06-16 Mandar Juvekar , Arian Nadjimzadah

Classifying phases of matter is a central problem in physics. For quantum mechanical systems, this task can be daunting owing to the exponentially large Hilbert space. Thanks to the available computing power and access to ever larger data…

Disordered Systems and Neural Networks · Physics 2017-02-16 Evert P. L. van Nieuwenburg , Ye-Hua Liu , Sebastian D. Huber

We introduce tensor field neural networks, which are locally equivariant to 3D rotations, translations, and permutations of points at every layer. 3D rotation equivariance removes the need for data augmentation to identify features in…

Machine Learning · Computer Science 2018-05-22 Nathaniel Thomas , Tess Smidt , Steven Kearnes , Lusann Yang , Li Li , Kai Kohlhoff , Patrick Riley

As deep neural networks grow in size, from thousands to millions to billions of weights, the performance of those networks becomes limited by our ability to accurately train them. A common naive question arises: if we have a system with…

Machine Learning · Computer Science 2018-05-29 Nathan O. Hodas , Panos Stinis

This work introduces the Topological CNN (TCNN), which encompasses several topologically defined convolutional methods. Manifolds with important relationships to the natural image space are used to parameterize image filters which are used…

Machine Learning · Computer Science 2021-03-05 Ephy R. Love , Benjamin Filippenko , Vasileios Maroulas , Gunnar Carlsson

Topological data analysis refers to approaches for systematically and reliably computing abstract ``shapes'' of complex data sets. There are various applications of topological data analysis in life and data sciences, with growing interest…

Mesoscale and Nanoscale Physics · Physics 2023-07-26 Daniel Leykam , Dimitris G. Angelakis

Although classifying topological quantum phases have attracted great interests, the absence of local order parameter generically makes it challenging to detect a topological phase transition from experimental data. Recent advances in…

Quantum Gases · Physics 2022-10-12 Entong Zhao , Ting Hin Mak , Chengdong He , Zejian Ren , Ka Kwan Pak , Yu-Jun Liu , Gyu-Boong Jo

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

We explore the role of torsion in hybrid deep learning models that incorporate topological data analysis, focusing on autoencoders. While most TDA tools use field coefficients, this conceals torsional features present in integer homology.…

Algebraic Topology · Mathematics 2025-09-22 Maria Walch

Invariance has recently proven to be a powerful inductive bias in machine learning models. One such class of predictive or generative models are tensor networks. We introduce a new numerical algorithm to construct a basis of tensors that…

Machine Learning · Computer Science 2024-07-02 Brent Sprangers , Nick Vannieuwenhoven

Modern neural networks have revolutionized the fields of computer vision (CV) and Natural Language Processing (NLP). They are widely used for solving complex CV tasks and NLP tasks such as image classification, image generation, and machine…

Machine Learning · Computer Science 2023-07-25 Xingyi Liu , Keshab K. Parhi

Deformable objects present a formidable challenge for robotic manipulation due to the lack of canonical low-dimensional representations and the difficulty of capturing, predicting, and controlling such objects. We construct compact…

Robotics · Computer Science 2021-05-12 Rika Antonova , Anastasiia Varava , Peiyang Shi , J. Frederico Carvalho , Danica Kragic

Tensor network theory and quantum simulation are respectively the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks…

Quantum Physics · Physics 2021-09-02 Xiao Yuan , Jinzhao Sun , Junyu Liu , Qi Zhao , You Zhou

We suggest analyzing neural networks through the prism of space constraints. We observe that most training algorithms applied in practice use bounded memory, which enables us to use a new notion introduced in the study of space-time…

Machine Learning · Computer Science 2017-03-03 Michal Moshkovitz , Naftali Tishby

Deep learning is the mainstream technique for many machine learning tasks, including image recognition, machine translation, speech recognition, and so on. It has outperformed conventional methods in various fields and achieved great…

Machine Learning · Computer Science 2018-06-01 Na Lei , Zhongxuan Luo , Shing-Tung Yau , David Xianfeng Gu

The standard cosmological model with cold dark matter posits a hierarchical formation of structures. We introduce topological neural networks (TNNs), implemented as message-passing neural networks on higher-order structures, to effectively…

Cosmology and Nongalactic Astrophysics · Physics 2025-08-06 Jun-Young Lee , Francisco Villaescusa-Navarro

We train artificial neural networks to distinguish the geometric phases of a set of bands in 1D photonic crystals. We find that the trained network yields remarkably accurate predictions of the topological phases for 1D photonic crystals,…

Optics · Physics 2020-10-28 Bei Wu , Kun Ding , C. T. Chan , Yuntian Chen

Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of…

This work develops the global equations of neural networks through stacked piecewise manifolds, fixed-point theory, and boundary-conditioned iteration. Once fixed coordinates and operators are removed, a neural network appears as a…

Machine Learning · Computer Science 2025-12-09 Max Y. Ma , Gen-Hua Shi