相关论文: Distance-Geometric Graph Attention Network (DG-GAT…

In this paper, we propose a geometric neural network with edge-aware refinement (GeoNet++) to jointly predict both depth and surface normal maps from a single image. Building on top of two-stream CNNs, GeoNet++ captures the geometric…

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

One practice of employing deep neural networks is to apply the same architecture to all the input instances. However, a fixed architecture may not be representative enough for data with high diversity. To promote the model capacity,…

Graph Attention Networks (GATs) have emerged as powerful models for learning expressive representations from such data by adaptively weighting neighboring nodes through attention mechanisms. However, most existing approaches primarily rely…

Geodesic distances on manifolds have numerous applications in image processing, computer graphics and computer vision. In this work, we introduce an approach called `LGGD' (Learned Generalized Geodesic Distances). This method involves…

We propose simple yet effective improvements in point representations and local neighborhood graph construction within the general framework of graph neural networks (GNNs) for 3D point cloud processing. As a first contribution, we propose…

Perceiving and reconstructing 3D scene geometry from visual inputs is crucial for autonomous driving. However, there still lacks a driving-targeted dense geometry perception model that can adapt to different scenarios and camera…

3D human mesh recovery from a 2D pose plays an important role in various applications. However, it is hard for existing methods to simultaneously capture the multiple relations during the evolution from skeleton to mesh, including…

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

3D generative modeling is accelerating as the technology allowing the capture of geometric data is developing. However, the acquired data is often inconsistent, resulting in unregistered meshes or point clouds. Many generative learning…

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…

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity)…

Geometric deep learning (GDL) has gained significant attention in scientific fields, for its proficiency in modeling data with intricate geometric structures. However, very few works have delved into its capability of tackling the…

This work provides a comprehensive derivation of the parameter gradients for GATv2 [4], a widely used implementation of Graph Attention Networks (GATs). GATs have proven to be powerful frameworks for processing graph-structured data and,…

In this paper, we propose a graph neural network, DisGNet, for learning the graph distance matrix to address the forward kinematics problem of the Gough-Stewart platform. DisGNet employs the k-FWL algorithm for message-passing, providing…

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of…

Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…

Rapid advancements in machine learning (ML) are transforming materials science by significantly speeding up material property calculations. However, the proliferation of ML approaches has made it challenging for scientists to keep up with…

Predicting relaxed atomic structures of chemically complex materials remains a major computational challenge, particularly for high-entropy systems where traditional first-principles methods become prohibitively expensive. We introduce the…

A geometric graph is a combinatorial graph, endowed with a geometry that is inherited from its embedding in a Euclidean space. Formulation of a meaningful measure of (dis-)similarity in both the combinatorial and geometric structures of two…