Related papers: Lattice gauge equivariant convolutional neural net…
Graph Neural Networks (GNNs) are emerging as powerful tools for nonlinear Model Order Reduction (MOR) of time-dependent parameterized Partial Differential Equations (PDEs). However, existing methodologies struggle to combine geometric…
Graph Convolutional Neural Networks (Graph CNNs) are generalizations of classical CNNs to handle graph data such as molecular data, point could and social networks. Current filters in graph CNNs are built for fixed and shared graph…
Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…
Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…
Porting state of the art deep learning algorithms to resource constrained compute platforms (e.g. VR, AR, wearables) is extremely challenging. We propose a fast, compact, and accurate model for convolutional neural networks that enables…
In the recent years, the domain of fast flow field prediction has been vastly dominated by pixel-based convolutional neural networks. Yet, the recent advent of graph convolutional neural networks (GCNNs) have attracted a considerable…
Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…
Convolutional neural networks (CNNs) have enabled the state-of-the-art performance in many computer vision tasks. However, little effort has been devoted to establishing convolution in non-linear space. Existing works mainly leverage on the…
Convolutions encode equivariance symmetries into neural networks leading to better generalisation performance. However, symmetries provide fixed hard constraints on the functions a network can represent, need to be specified in advance, and…
The translation equivariance of convolutions can make convolutional neural networks translation equivariant or invariant. Equivariance to other transformations (e.g. rotations, affine transformations, scalings) may also be desirable as soon…
Semi-supervised learning on graph structured data has received significant attention with the recent introduction of Graph Convolution Networks (GCN). While traditional methods have focused on optimizing a loss augmented with Laplacian…
We propose a Transformer neural network architecture specifically designed for lattice QCD, focusing on preserving the fundamental symmetries required in lattice gauge theory. The proposed architecture is gauge covariant/equivariant,…
Accurate models of the world are built upon notions of its underlying symmetries. In physics, these symmetries correspond to conservation laws, such as for energy and momentum. Yet even though neural network models see increasing use in the…
Group Convolutional Neural Networks (G-CNNs) constrain learned features to respect the symmetries in the selected group, and lead to better generalization when these symmetries appear in the data. If this is not the case, however,…
Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of…
Convolutional neural networks (CNNs) have achieved state-of-the-art results on many visual recognition tasks. However, current CNN models still exhibit a poor ability to be invariant to spatial transformations of images. Intuitively, with…
The use of Convolutional Neural Networks (CNNs) is widespread in Deep Learning due to a range of desirable model properties which result in an efficient and effective machine learning framework. However, performant CNN architectures must be…
Convolutional neural networks (CNNs) provide flexible function approximations for a wide variety of applications when the input variables are in the form of images or spatial data. Although CNNs often outperform traditional statistical…
I present a novel equivariant neural network architecture for the large-scale spin dynamics simulation of the Kondo lattice model. This neural network mainly consists of tensor-product-based convolution layers and ensures two equivariances:…
Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…