相关论文: Efficient, Interpretable Graph Neural Network Repr…

We propose ArtSAGENet, a novel multimodal architecture that integrates Graph Neural Networks (GNNs) and Convolutional Neural Networks (CNNs), to jointly learn visual and semantic-based artistic representations. First, we illustrate the…

Graphs are a useful abstraction of image content. Not only can graphs represent details about individual objects in a scene but they can capture the interactions between pairs of objects. We present a method for training a convolutional…

We present a systematic comparison between neural network (NN) architectures for inference of AC-OPF solutions. Using fully connected NNs as a baseline we demonstrate the efficacy of leveraging network topology in the models by constructing…

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…

A graph is a powerful concept for representation of relations between pairs of entities. Data with underlying graph structure can be found across many disciplines and there is a natural desire for understanding such data better. Deep…

We present a simple and effective approach to incorporating syntactic structure into neural attention-based encoder-decoder models for machine translation. We rely on graph-convolutional networks (GCNs), a recent class of neural networks…

Leveraging domain knowledge including fingerprints and functional groups in molecular representation learning is crucial for chemical property prediction and drug discovery. When modeling the relation between graph structure and molecular…

Learning powerful data embeddings has become a center piece in machine learning, especially in natural language processing and computer vision domains. The crux of these embeddings is that they are pretrained on huge corpus of data in a…

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

Graph Neural Networks (GNNs) have become increasingly popular for effectively modeling graph-structured data, and attention mechanisms have been pivotal in enabling these models to capture complex patterns. In our study, we reveal a…

Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of Group IV, III-V, and II-VI zinc blende (ZB) semiconductors, powered by crystal Graph-based Neural Networks…

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

This paper proposes a Fast Graph Convolutional Neural Network (FGRNN) architecture to predict sequences with an underlying graph structure. The proposed architecture addresses the limitations of the standard recurrent neural network (RNN),…

Detecting and localizing leakages is a significant challenge for the efficient and sustainable management of water distribution networks (WDN). Leveraging the inherent graph structure of WDNs, recent approaches have used graph-based…

Visual Question answering is a challenging problem requiring a combination of concepts from Computer Vision and Natural Language Processing. Most existing approaches use a two streams strategy, computing image and question features that are…

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)…

Graph neural networks (GNNs) have become a core paradigm for learning on relational data. In materials science, equivariant GNNs (EGNNs) have emerged as a compelling backbone for crystalline-structure prediction, owing to their ability to…

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…

Learning structural information is critical for producing an ideal result in retinal image segmentation. Recently, convolutional neural networks have shown a powerful ability to extract effective representations. However, convolutional and…

Graph neural networks (GNNs) on text--attributed graphs (TAGs) typically encode node texts using pretrained language models (PLMs) and propagate these embeddings through linear neighborhood aggregation. However, the representation spaces of…