Embedding Graphs on Grassmann Manifold

Learning efficient graph representation is the key to favorably addressing downstream tasks on graphs, such as node or graph property prediction. Given the non-Euclidean structural property of graphs, preserving the original graph data's similarity relationship in the embedded space needs specific tools and a similarity metric. This paper develops a new graph representation learning scheme, namely EGG, which embeds approximated second-order graph characteristics into a Grassmann manifold. The proposed strategy leverages graph convolutions to learn hidden representations of the corresponding subspace of the graph, which is then mapped to a Grassmann point of a low dimensional manifold through truncated singular value decomposition (SVD). The established graph embedding approximates denoised correlationship of node attributes, as implemented in the form of a symmetric matrix space for Euclidean calculation. The effectiveness of EGG is demonstrated using both clustering and classification tasks at the node level and graph level. It outperforms baseline models on various benchmarks.

Quasi-Framelets: Another Improvement to GraphNeural Networks

This paper aims to provide a novel design of a multiscale framelets convolution for spectral graph neural networks. In the spectral paradigm, spectral GNNs improve graph learning task performance via proposing various spectral filters in spectral domain to capture both global and local graph structure information. Although the existing spectral approaches show superior performance in some graphs, they suffer from lack of flexibility and being fragile when graph information are incomplete or perturbated. Our new framelets convolution incorporates the filtering func-tions directly designed in the spectral domain to overcome these limitations. The proposed convolution shows a great flexibility in cutting-off spectral information and effectively mitigate the negative effect of noisy graph signals. Besides, to exploit the heterogeneity in real-world graph data, the heterogeneous graph neural network with our new framelet convolution provides a solution for embedding the intrinsic topological information of meta-path with a multi-level graph analysis.Extensive experiments have been conducted on real-world heterogeneous graphs and homogeneous graphs under settings with noisy node features and superior performance results are achieved.

Graph Denoising with Framelet Regularizer

As graph data collected from the real world is merely noise-free, a practical representation of graphs should be robust to noise. Existing research usually focuses on feature smoothing but leaves the geometric structure untouched. Furthermore, most work takes L2-norm that pursues a global smoothness, which limits the expressivity of graph neural networks. This paper tailors regularizers for graph data in terms of both feature and structure noises, where the objective function is efficiently solved with the alternating direction method of multipliers (ADMM). The proposed scheme allows to take multiple layers without the concern of over-smoothing, and it guarantees convergence to the optimal solutions. Empirical study proves that our model achieves significantly better performance compared with popular graph convolutions even when the graph is heavily contaminated.

How Framelets Enhance Graph Neural Networks

This paper presents a new approach for assembling graph neural networks based on framelet transforms. The latter provides a multi-scale representation for graph-structured data. With the framelet system, we can decompose the graph feature into low-pass and high-pass frequencies as extracted features for network training, which then defines a framelet-based graph convolution. The framelet decomposition naturally induces a graph pooling strategy by aggregating the graph feature into low-pass and high-pass spectra, which considers both the feature values and geometry of the graph data and conserves the total information. The graph neural networks with the proposed framelet convolution and pooling achieve state-of-the-art performance in many types of node and graph prediction tasks. Moreover, we propose shrinkage as a new activation for the framelet convolution, which thresholds the high-frequency information at different scales. Compared to ReLU, shrinkage in framelet convolution improves the graph neural network model in terms of denoising and signal compression: noises in both node and structure can be significantly reduced by accurately cutting off the high-pass coefficients from framelet decomposition, and the signal can be compressed to less than half its original size with the prediction performance well preserved.

Decimated Framelet System on Graphs and Fast G-Framelet Transforms

Graph representation learning has many real-world applications, from super-resolution imaging, 3D computer vision to drug repurposing, protein classification, social networks analysis. An adequate representation of graph data is vital to the learning performance of a statistical or machine learning model for graph-structured data. In this paper, we propose a novel multiscale representation system for graph data, called decimated framelets, which form a localized tight frame on the graph. The decimated framelet system allows storage of the graph data representation on a coarse-grained chain and processes the graph data at multi scales where at each scale, the data is stored at a subgraph. Based on this, we then establish decimated G-framelet transforms for the decomposition and reconstruction of the graph data at multi resolutions via a constructive data-driven filter bank. The graph framelets are built on a chain-based orthonormal basis that supports fast graph Fourier transforms. From this, we give a fast algorithm for the decimated G-framelet transforms, or FGT, that has linear computational complexity O(N) for a graph of size N. The theory of decimated framelets and FGT is verified with numerical examples for random graphs. The effectiveness is demonstrated by real-world applications, including multiresolution analysis for traffic network, and graph neural networks for graph classification tasks.

Graph Neural Networks with Haar Transform-Based Convolution and Pooling: A Complete Guide

Graph Neural Networks (GNNs) have recently caught great attention and achieved significant progress in graph-level applications. In order to handle graphs with different features and sizes, we propose a novel graph neural network, which we call HaarNet, to predict graph labels with interrelated convolution and pooling strategies. Similar to some existing routines, the model assembles unified graph-level representations from samples by first adopting graph convolutional layers to extract mutual information followed by graph pooling layers to downsample graph resolution. By a sequence of clusterings, we embed the intrinsic topological information of each graph into the GNN. Through the fast Haar transformation, we made our contribution to forming a smooth workflow that learns multi-scale graph representation with redundancy removed. As a result, our proposed framework obtains notable accuracy gains without sacrificing performance stability. Extensive experiments validate the superiority on graph classification and regression tasks, where our proposed HaarNet outperforms various existing GNN models, especially on big data sets.

ADAMT: A Stochastic Optimization with Trend Correction Scheme

Adam-type optimizers, as a class of adaptive moment estimation methods with the exponential moving average scheme, have been successfully used in many applications of deep learning. Such methods are appealing for capability on large-scale sparse datasets with high computational efficiency. In this paper, we present a new framework for adapting Adam-type methods, namely AdamT. Instead of applying a simple exponential weighted average, AdamT also includes the trend information when updating the parameters with the adaptive step size and gradients. The additional terms promise an efficient movement on the complex cost surface, and thus the loss would converge more rapidly. We show empirically the importance of adding the trend component, where AdamT outperforms the vanilla Adam method constantly with state-of-the-art models on several classical real-world datasets.