相关论文: ViSNet: an equivariant geometry-enhanced graph neu…

In the field of medical image, deep convolutional neural networks(ConvNets) have achieved great success in the classification, segmentation, and registration tasks thanks to their unparalleled capacity to learn image features. However,…

Deep learning is changing many areas in molecular physics, and it has shown great potential to deliver new solutions to challenging molecular modeling problems. Along with this trend arises the increasing demand of expressive and versatile…

In this work, we propose a deep learning approach for parallel magnetic resonance imaging (MRI) reconstruction, termed a variable splitting network (VS-Net), for an efficient, high-quality reconstruction of undersampled multi-coil MR data.…

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Geometry problem solving (GPS) is a high-level mathematical reasoning requiring the capacities of multi-modal fusion and geometric knowledge application. Recently, neural solvers have shown great potential in GPS but still be short in…

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes…

Deep learning has made significant progress in protein structure prediction, advancing the development of computational biology. However, despite the high accuracy achieved in predicting single-chain structures, a significant number of…

Learning on 3D structures of large biomolecules is emerging as a distinct area in machine learning, but there has yet to emerge a unifying network architecture that simultaneously leverages the graph-structured and geometric aspects of the…

Graph-based representations for samples of computational mechanics-related datasets can prove instrumental when dealing with problems like irregular domains or molecular structures of materials, etc. To effectively analyze and process such…

Structure-based drug design uses three-dimensional geometric information of macromolecules, such as proteins or nucleic acids, to identify suitable ligands. Geometric deep learning, an emerging concept of neural-network-based machine…

This paper introduces the Neural Differential Manifold (NDM), a novel neural network architecture that explicitly incorporates geometric structure into its fundamental design. Departing from conventional Euclidean parameter spaces, the NDM…

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such…

Geometric deep learning is an emerging technique in Artificial Intelligence (AI) driven cheminformatics, however the unique implications of different Graph Neural Network (GNN) architectures are poorly explored, for this space. This study…

Geometric deep learning has recently gained significant attention in the computer vision community for its ability to capture meaningful representations of data lying in a non-Euclidean space. To this end, we propose E2E-GNet, an end-to-end…

In this paper, we present a deep learning-based framework for solving geometric construction problems through visual reasoning, which is useful for automated geometry theorem proving. Constructible problems in geometry often ask for the…

Although deep learning approaches have had tremendous success in image, video and audio processing, computer vision, and speech recognition, their applications to three-dimensional (3D) biomolecular structural data sets have been hindered…

Surgical phase recognition plays a critical role in developing intelligent assistance systems for minimally invasive procedures such as Endoscopic Submucosal Dissection (ESD). However, the high visual similarity across different phases and…

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Medical image analysis and computer-assisted intervention problems are increasingly being addressed with deep-learning-based solutions. Established deep-learning platforms are flexible but do not provide specific functionality for medical…