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Heterogeneous graph neural networks (HeteGNNs) have demonstrated strong abilities to learn node representations by effectively extracting complex structural and semantic information in heterogeneous graphs. Most of the prevailing HeteGNNs…
In the realm of Text-attributed Graphs (TAGs), traditional graph neural networks (GNNs) often fall short due to the complex textual information associated with each node. Recent methods have improved node representations by leveraging large…
Recently, deep learning techniques have enjoyed success in various multimedia applications, such as image classification and multi-modal data analysis. Large deep learning models are developed for learning rich representations of complex…
Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require…
Partial Differential Equations (PDEs) underpin many scientific phenomena, yet traditional computational approaches often struggle with complex, nonlinear systems and irregular geometries. This paper introduces the AMG method, a Multi-Graph…
Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark…
Optimization problem, which is aimed at finding the global minimal value of a given cost function, is one of the central problem in science and engineering. Various numerical methods have been proposed to solve this problem, among which the…
\Graph similarity computation is an essential task in many real-world graph-related applications such as retrieving the similar drugs given a query chemical compound or finding the user's potential friends from the social network database.…
Despite the recent successes in robotic locomotion control, the design of robot relies heavily on human engineering. Automatic robot design has been a long studied subject, but the recent progress has been slowed due to the large…
Accurate, fair, and explainable allocation of candidates to roles represents a fundamental challenge across multiple domains including corporate hiring, academic admissions, fellowship awards, and volunteer placement systems. Current…
Accurate identification of protein-nucleotide binding sites is fundamental to deciphering molecular mechanisms and accelerating drug discovery. However, current computational methods often struggle with suboptimal performance due to…
In the field of medical imaging, the U-Net architecture, along with its variants, has established itself as a cornerstone for image segmentation tasks, particularly due to its strong performance when trained on limited datasets. Despite its…
Mesh-based graph neural networks (GNNs) have become effective surrogates for PDE simulations, yet their deep message passing incurs high cost and over-smoothing on large, long-range meshes; hierarchical GNNs shorten propagation paths but…
Graph Neural Networks (GNNs) have shown remarkable merit in performing various learning-based tasks in complex networks. The superior performance of GNNs often correlates with the availability and quality of node-level features in the input…
Learning graph generative models is a challenging task for deep learning and has wide applicability to a range of domains like chemistry, biology and social science. However current deep neural methods suffer from limited scalability: for a…
Despite the recent success of Graph Neural Networks (GNNs), training GNNs on large graphs remains challenging. The limited resource capacities of the existing servers, the dependency between nodes in a graph, and the privacy concern due to…
Access to the proper infrastructure is critical when performing medical image segmentation with Deep Learning. This requirement makes it difficult to run state-of-the-art segmentation models in resource-constrained scenarios like primary…
Branch-and-bound (BnB) algorithms are widely used to solve combinatorial problems, and the performance crucially depends on its branching heuristic.In this work, we consider a typical problem of maximum common subgraph (MCS), and propose a…
The ability to learn sequentially from different data sites is crucial for a deep network in solving practical medical image diagnosis problems due to privacy restrictions and storage limitations. However, adapting on incoming site leads to…
Simulating object deformations is a critical challenge across many scientific domains, including robotics, manufacturing, and structural mechanics. Learned Graph Network Simulators (GNSs) offer a promising alternative to traditional…