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Data with geometric structure is ubiquitous in machine learning often arising from fundamental symmetries in a domain, such as permutation-invariance in graphs and translation-invariance in images. Group-convolutional architectures, which…
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…
Graph Neural Networks (GNNs) are valuable intellectual property, yet many watermarks rely on backdoor triggers that break under common model edits and create ownership ambiguity. We present InvGNN-WM, which ties ownership to a model's…
Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…
We present a SE(3)-equivariant graph neural network (GNN) approach that directly predicting the formation factor and effective permeability from micro-CT images. FFT solvers are established to compute both the formation factor and effective…
The topological framework of circuit topology has recently been introduced to complement knot theory and to help in understanding the physics of molecular folding. Naturally evolved linear molecular chains, such as proteins and nucleic…
Steerable convolutional neural networks (CNNs) provide a general framework for building neural networks equivariant to translations and transformations of an origin-preserving group $G$, such as reflections and rotations. They rely on…
Graph neural networks (GNNs) are a well-regarded tool for learned control of networked dynamical systems due to their ability to be deployed in a distributed manner. However, current distributed GNN architectures assume that all nodes in…
Compared with avid research activities of deep convolutional neural networks (DCNNs) in practice, the study of theoretical behaviors of DCNNs lags heavily behind. In particular, the universal consistency of DCNNs remains open. In this…
This paper introduces a generalization of Convolutional Neural Networks (CNNs) to graphs with irregular linkage structures, especially heterogeneous graphs with typed nodes and schemas. We propose a novel spatial convolution operation to…
Convolutional Neural Networks (CNNs) are widely assumed to be translation-invariant, yet standard architectures exhibit a startling fragility: even a single-pixel shift can drastically degrade performance due to their reliance on spatially…
Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…
Verifying robustness of neural network classifiers has attracted great interests and attention due to the success of deep neural networks and their unexpected vulnerability to adversarial perturbations. Although finding minimum adversarial…
Graph Neural Networks (GNNs) have become the de facto standard for analyzing graph-structured data, leveraging message-passing techniques to capture both structural and node feature information. However, recent studies have raised concerns…
Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…
We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks…
Structural shifts pose a significant challenge for graph neural networks, as graph topology acts as a covariate that can vary across domains. Existing domain generalization methods rely on fixed structural augmentations or training on…
Graph learning (GL) can dynamically capture the distribution structure (graph structure) of data based on graph convolutional networks (GCN), and the learning quality of the graph structure directly influences GCN for semi-supervised…
Automatic tumor segmentation is a crucial step in medical image analysis for computer-aided diagnosis. Although the existing methods based on convolutional neural networks (CNNs) have achieved the state-of-the-art performance, many…
State-of-the-art deep learning systems often require large amounts of data and computation. For this reason, leveraging known or unknown structure of the data is paramount. Convolutional neural networks (CNNs) are successful examples of…