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Graph Neural Networks (GNNs) have achieved tremendous success in various real-world applications due to their strong ability in graph representation learning. GNNs explore the graph structure and node features by aggregating and…

Machine Learning · Computer Science 2021-03-09 Wei Jin , Tyler Derr , Yiqi Wang , Yao Ma , Zitao Liu , Jiliang Tang

The accurate prediction of changes in protein stability under multiple amino acid substitutions is essential for realising true in-silico protein re-design. To this purpose, we propose improvements to state-of-the-art Deep learning (DL)…

Biomolecules · Quantitative Biology 2023-06-01 Sebastien Boyer , Sam Money-Kyrle , Oliver Bent

Much of the success of deep learning is drawn from building architectures that properly respect underlying symmetry and structure in the data on which they operate - a set of considerations that have been united under the banner of…

Machine Learning · Computer Science 2022-10-05 Matthew Spellings

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

Computational Physics · Physics 2024-06-25 Johannes Gasteiger , Florian Becker , Stephan Günnemann

In spite of the recent progresses on classifying 3D point cloud with deep CNNs, large geometric transformations like rotation and translation remain challenging problem and harm the final classification performance. To address this…

Computer Vision and Pattern Recognition · Computer Science 2019-12-24 Mingye Xu , Zhipeng Zhou , Yu Qiao

Lattice gauge equivariant convolutional neural networks (L-CNNs) are a framework for convolutional neural networks that can be applied to non-Abelian lattice gauge theories without violating gauge symmetry. We demonstrate how L-CNNs can be…

High Energy Physics - Lattice · Physics 2023-03-22 Jimmy Aronsson , David I. Müller , Daniel Schuh

We aim to deepen the theoretical understanding of Graph Neural Networks (GNNs) on large graphs, with a focus on their expressive power. Existing analyses relate this notion to the graph isomorphism problem, which is mostly relevant for…

Machine Learning · Computer Science 2023-05-25 Nicolas Keriven , Samuel Vaiter

Symmetry-aware architectures are central to geometric deep learning. We present a systematic approach for constructing continuous rotationally invariant and equivariant functions using symmetric tensor networks. The proposed framework…

Machine Learning · Computer Science 2026-02-03 Meng Zhang , Chao Wang , Hao Zhang , Shaojun Dong , Lixin He

The AdS/CFT correspondence between string theory in AdS space and conformal field theories in physical space-time leads to an analytic, semi-classical model for strongly-coupled QCD which has scale invariance and dimensional counting at…

High Energy Physics - Theory · Physics 2017-08-23 Stanley J. Brodsky , Guy F. de Teramond

By using the approach of non-commutative geometry, we study spinors and scalars on the two layers AdS$_{d+1}$ space. We have found that in the boundary of two layers AdS$_{d+1}$ space, by using the AdS/CFT correspondence, we have a…

High Energy Physics - Theory · Physics 2009-10-31 K. Kaviani , A. M. Ghezelbash

Single Image Super-Resolution (SISR) task refers to learn a mapping from low-resolution images to the corresponding high-resolution ones. This task is known to be extremely difficult since it is an ill-posed problem. Recently, Convolutional…

Computer Vision and Pattern Recognition · Computer Science 2020-01-29 Seyed Mehdi Ayyoubzadeh , Xiaolin Wu

The success of Generative Adversarial Networks (GANs) is largely built upon the adversarial training between a generator (G) and a discriminator (D). They are expected to reach a certain equilibrium where D cannot distinguish the generated…

Computer Vision and Pattern Recognition · Computer Science 2022-04-19 Jianyuan Wang , Ceyuan Yang , Yinghao Xu , Yujun Shen , Hongdong Li , Bolei Zhou

Neural surrogates enable orders-of-magnitude acceleration of computational fluid dynamics (CFD) simulations, with the potential to transform engineering and healthcare workflows. Neural surrogate use in real-world applications requires…

Machine Learning · Computer Science 2026-05-20 Patryk Rygiel , Julian Suk , Kak Khee Yeung , Christoph Brune , Jelmer M. Wolterink

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

Quantum Neural Networks (QNNs) are suggested as one of the quantum algorithms which can be efficiently simulated with a low depth on near-term quantum hardware in the presence of noises. However, their performance highly relies on choosing…

Quantum Physics · Physics 2024-03-14 Su Yeon Chang , Michele Grossi , Bertrand Le Saux , Sofia Vallecorsa

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

We propose a learning paradigm for numerical approximation of differential invariants of planar curves. Deep neural-networks' (DNNs) universal approximation properties are utilized to estimate geometric measures. The proposed framework is…

Computer Vision and Pattern Recognition · Computer Science 2022-02-15 Roy Velich , Ron Kimmel

PDE-based Group Convolutional Neural Networks (PDE-G-CNNs) use solvers of evolution PDEs as substitutes for the conventional components in G-CNNs. PDE-G-CNNs can offer several benefits simultaneously: fewer parameters, inherent…

Machine Learning · Computer Science 2024-11-21 Gijs Bellaard , Sei Sakata , Bart M. N. Smets , Remco Duits

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections,…

Many problems in computer vision require dealing with sparse, unordered data in the form of point clouds. Permutation-equivariant networks have become a popular solution-they operate on individual data points with simple perceptrons and…

Computer Vision and Pattern Recognition · Computer Science 2021-02-02 Weiwei Sun , Wei Jiang , Eduard Trulls , Andrea Tagliasacchi , Kwang Moo Yi