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The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

Soft Condensed Matter · Physics 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes

In the context of classification problems, Deep Learning (DL) approaches represent state of art. Many DL approaches are based on variations of standard multi-layer feed-forward neural networks. These are also referred to as deep networks.…

Machine Learning · Computer Science 2023-11-21 Andrea Apicella , Francesco Isgrò , Roberto Prevete

While much work has been devoted to understanding the implicit (and explicit) regularization of deep nonlinear networks in the supervised setting, this paper focuses on unsupervised learning, i.e., autoencoders are trained with the…

Machine Learning · Computer Science 2021-10-25 Harald Steck , Dario Garcia Garcia

Little is known about the training dynamics of equivariant neural networks, in particular how it compares to data augmented training of their non-equivariant counterparts. Recently, neural tangent kernels (NTKs) have emerged as a powerful…

Machine Learning · Computer Science 2025-02-03 Philipp Misof , Pan Kessel , Jan E. Gerken

Equivariant neural networks are a class of neural networks designed to preserve symmetries inherent in the data. In this paper, we introduce a general method for modifying a neural network to enforce equivariance, a process we refer to as…

Machine Learning · Computer Science 2025-11-19 Erkao Bao , Jingcheng Lu , Linqi Song , Nathan Hart-Hodgson , William Parson , Yanheng Zhou

Equivariant neural networks incorporate symmetries into their architecture, achieving higher generalization performance. However, constructing equivariant neural networks typically requires prior knowledge of data types and symmetries,…

Machine Learning · Computer Science 2024-10-15 Lexiang Hu , Yikang Li , Zhouchen Lin

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

Deep neural networks have been shown to be very successful at learning feature hierarchies in supervised learning tasks. Generative models, on the other hand, have benefited less from hierarchical models with multiple layers of latent…

Machine Learning · Computer Science 2017-06-12 Shengjia Zhao , Jiaming Song , Stefano Ermon

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

In recent years, deep learning has led to impressive results in many fields. In this paper, we introduce a multi-scale artificial neural network for high-dimensional non-linear maps based on the idea of hierarchical nested bases in the fast…

Numerical Analysis · Mathematics 2019-02-27 Yuwei Fan , Jordi Feliu-Faba , Lin Lin , Lexing Ying , Leonardo Zepeda-Nunez

Can we effectively learn a nonlinear representation in time comparable to linear learning? We describe a new algorithm that explicitly and adaptively expands higher-order interaction features over base linear representations. The algorithm…

Machine Learning · Computer Science 2014-10-03 Alekh Agarwal , Alina Beygelzimer , Daniel Hsu , John Langford , Matus Telgarsky

Popular representation learning methods encourage feature invariance under transformations applied at the input. However, in 3D perception tasks like object localization and segmentation, outputs are naturally equivariant to some…

Computer Vision and Pattern Recognition · Computer Science 2024-04-19 Deepti Hegde , Suhas Lohit , Kuan-Chuan Peng , Michael J. Jones , Vishal M. Patel

Apart from discriminative models for classification and object detection tasks, the application of deep convolutional neural networks to basic research utilizing natural imaging data has been somewhat limited; particularly in cases where a…

Computer Vision and Pattern Recognition · Computer Science 2020-09-22 R. Ian Etheredge , Manfred Schartl , Alex Jordan

In deep learning theory, a critical question is to understand how neural networks learn hierarchical features. In this work, we study the learning of hierarchical polynomials of \textit{multiple nonlinear features} using three-layer neural…

Machine Learning · Computer Science 2024-11-27 Hengyu Fu , Zihao Wang , Eshaan Nichani , Jason D. Lee

Understanding the dynamics of neural networks in different width regimes is crucial for improving their training and performance. We present an exact solution for the learning dynamics of a one-hidden-layer linear network, with…

Machine Learning · Computer Science 2025-02-24 Yizhou Xu , Liu Ziyin

Rotation-invariance is a desired property of machine-learning models for medical image analysis and in particular for computational pathology applications. We propose a framework to encode the geometric structure of the special Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2020-02-21 Maxime W. Lafarge , Erik J. Bekkers , Josien P. W. Pluim , Remco Duits , Mitko Veta

We propose a general architecture that combines the coefficient learning scheme with a residual operator layer for learning mappings between continuous functions in the 3D Euclidean space. Our proposed model is guaranteed to achieve…

Machine Learning · Computer Science 2023-11-21 Chaoran Cheng , Jian Peng

The immense computational cost of simulating turbulence has motivated the use of machine learning approaches for super-resolving turbulent flows. A central challenge is ensuring that learned models respect physical symmetries, such as…

Incorporating Euclidean symmetries (e.g. rotation equivariance) as inductive biases into graph neural networks has improved their generalization ability and data efficiency in unbounded physical dynamics modeling. However, in various…

Machine Learning · Computer Science 2024-06-25 Zinan Zheng , Yang Liu , Jia Li , Jianhua Yao , Yu Rong

The neural network-based approach to solving partial differential equations has attracted considerable attention due to its simplicity and flexibility in representing the solution of the partial differential equation. In training a neural…

Machine Learning · Computer Science 2022-01-10 Jihun Han , Yoonsang Lee
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