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Topological invariants allow to characterize Hamiltonians, predicting the existence of topologically protected in-gap modes. Those invariants can be computed by tracing the evolution of the occupied wavefunctions under twisted boundary…

Mesoscale and Nanoscale Physics · Physics 2018-04-04 D. Carvalho , N. A. Garcia-Martinez , J. L. Lado , J. Fernandez-Rossier

Invariance (defined in a general sense) has been one of the most effective priors for representation learning. Direct factorization of parametric models is feasible only for a small range of invariances, while regularization approaches,…

Machine Learning · Computer Science 2020-07-28 Yingyi Ma , Vignesh Ganapathiraman , Yaoliang Yu , Xinhua Zhang

Symbolic regression is a technique that can automatically derive analytic models from data. Traditionally, symbolic regression has been implemented primarily through genetic programming that evolves populations of candidate solutions…

Neural and Evolutionary Computing · Computer Science 2025-04-24 Jiří Kubalík , Robert Babuška

Deep learning methods have achieved impressive performance for multi-class medical image segmentation. However, they are limited in their ability to encode topological interactions among different classes (e.g., containment and exclusion).…

Generative adversarial network (GAN) has been shown to be useful in various applications, such as image recognition, text processing and scientific computing, due its strong ability to learn complex data distributions. In this study, a…

Geophysics · Physics 2021-09-14 Tianhao He , Dongxiao Zhang

We consider dynamical and geometrical aspects of deep learning. For many standard choices of layer maps we display semi-invariant metrics which quantify differences between data or decision functions. This allows us, when considering random…

Machine Learning · Computer Science 2021-04-23 Benny Avelin , Anders Karlsson

Vector-quantized representations enable powerful discrete generative models but lack semantic structure in token space, limiting interpretable human control. We introduce SOM-VQ, a tokenization method that combines vector quantization with…

Machine Learning · Computer Science 2026-02-25 Alessandro Londei , Denise Lanzieri , Matteo Benati

Topological Deep Learning seeks to enhance the predictive performance of neural network models by harnessing topological structures in input data. Topological neural networks operate on spaces such as cell complexes and hypergraphs, that…

Variational autoencoders (VAEs) and generative adversarial networks (GANs) enjoy an intuitive connection to manifold learning: in training the decoder/generator is optimized to approximate a homeomorphism between the data distribution and…

Machine Learning · Computer Science 2020-08-28 Henry Li , Ofir Lindenbaum , Xiuyuan Cheng , Alexander Cloninger

Deep generative models are increasingly becoming integral parts of the in silico molecule design pipeline and have dual goals of learning the chemical and structural features that render candidate molecules viable while also being flexible…

Biomolecules · Quantitative Biology 2021-06-08 Yair Schiff , Vijil Chenthamarakshan , Karthikeyan Natesan Ramamurthy , Payel Das

Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and…

Machine Learning · Computer Science 2023-12-12 Kushal Bose , Swagatam Das

We develop data-driven methods incorporating geometric and topological information to learn parsimonious representations of nonlinear dynamics from observations. The approaches learn nonlinear state-space models of the dynamics for general…

Machine Learning · Computer Science 2025-03-28 Ryan Lopez , Paul J. Atzberger

This research uses deep learning to estimate the topology of manifolds represented by sparse, unordered point cloud scenes in 3D. A new labelled dataset was synthesised to train neural networks and evaluate their ability to estimate the…

Computer Vision and Pattern Recognition · Computer Science 2023-10-02 Dylan Peek , Matt P. Skerritt , Stephan Chalup

Fourier neural operators (FNOs) are a recently introduced neural network architecture for learning solution operators of partial differential equations (PDEs), which have been shown to perform significantly better than comparable deep…

Training model to generate data has increasingly attracted research attention and become important in modern world applications. We propose in this paper a new geometry-based optimization approach to address this problem. Orthogonal to…

Machine Learning · Computer Science 2017-08-18 Trung Le , Hung Vu , Tu Dinh Nguyen , Dinh Phung

Previous work on symmetric group equivariant neural networks generally only considered the case where the group acts by permuting the elements of a single vector. In this paper we derive formulae for general permutation equivariant layers,…

Machine Learning · Computer Science 2020-04-09 Erik Henning Thiede , Truong Son Hy , Risi Kondor

We propose a nonlinear manifold learning technique based on deep convolutional autoencoders that is appropriate for model order reduction of physical systems in complex geometries. Convolutional neural networks have proven to be highly…

Computational Physics · Physics 2021-07-19 John Tencer , Kevin Potter

Equivariant deep learning architectures exploit symmetries in learning problems to improve the sample efficiency of neural-network-based models and their ability to generalise. However, when modelling real-world data, learning problems are…

Machine Learning · Statistics 2024-11-12 Matthew Ashman , Cristiana Diaconu , Adrian Weller , Wessel Bruinsma , Richard E. Turner

We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional…

Machine Learning · Computer Science 2017-02-23 Thomas N. Kipf , Max Welling

Traditional supervised learning aims to learn an unknown mapping by fitting a function to a set of input-output pairs with a fixed dimension. The fitted function is then defined on inputs of the same dimension. However, in many settings,…

Machine Learning · Computer Science 2024-05-01 Eitan Levin , Mateo Díaz
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