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Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous…

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Being able to predict the performance of circuits without running expensive simulations is a desired capability that can catalyze automated design. In this paper, we present a supervised pretraining approach to learn circuit representations…

Image segmentation is crucial in many computational pathology pipelines, including accurate disease diagnosis, subtyping, outcome, and survivability prediction. The common approach for training a segmentation model relies on a pre-trained…

Computing shortest path distances between nodes lies at the heart of many graph algorithms and applications. Traditional exact methods such as breadth-first-search (BFS) do not scale up to contemporary, rapidly evolving today's massive…

We study the diversity of the features learned by a two-layer neural network trained with the least squares loss. We measure the diversity by the average $L_2$-distance between the hidden-layer features and theoretically investigate how…

Graph neural networks (GNN) have shown great success in learning from graph-structured data. They are widely used in various applications, such as recommendation, fraud detection, and search. In these domains, the graphs are typically…

Graph embeddings have emerged as a powerful tool for representing complex network structures in a low-dimensional space, enabling the use of efficient methods that employ the metric structure in the embedding space as a proxy for the…

Distilling high-accuracy Graph Neural Networks (GNNs) to low-latency multilayer perceptions (MLPs) on graph tasks has become a hot research topic. However, conventional MLP learning relies almost exclusively on graph nodes and fails to…

Massive Multiple-Input Multiple-Out (MIMO) detection is an important problem in modern wireless communication systems. While traditional Belief Propagation (BP) detectors perform poorly on loopy graphs, the recent Graph Neural Networks…

Graph-based neural network models are producing strong results in a number of domains, in part because graphs provide flexibility to encode domain knowledge in the form of relational structure (edges) between nodes in the graph. In…

Learning to generate graphs is challenging as a graph is a set of pairwise connected, unordered nodes encoding complex combinatorial structures. Recently, several works have proposed graph generative models based on normalizing flows or…

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

In modern computer vision, images are typically represented as a fixed uniform grid with some stride and processed via a deep convolutional neural network. We argue that deforming the grid to better align with the high-frequency image…

Large-scale graphs are widely used to represent object relationships in many real world applications. The occurrence of large-scale graphs presents significant computational challenges to process, analyze, and extract information. Graph…

In the study of neurons, morphology influences function. The complexity in the structure of neurons poses a challenge in the identification and analysis of similar and dissimilar neuronal cells. Existing methodologies carry out structural…

Deep learning for molecular science has so far mainly focused on 2D molecular graphs. Recently, however, there has been work to extend it to 3D molecular geometry, due to its scientific significance and critical importance in real-world…

Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose…

Graph Neural Networks (GNNs) have become the de-facto standard tool for modeling relational data. However, while many real-world graphs are directed, the majority of today's GNN models discard this information altogether by simply making…