arXiv subjects

Junbin Gao

Publications and source records attributed to Junbin Gao.

At least 91 records · Page 5Linked to original sources

arXiv2022

Graph Contrastive Learning with Implicit Augmentations

Existing graph contrastive learning methods rely on augmentation techniques based on random perturbations (e.g., randomly adding or dropping edges and nodes). Nevertheless, altering certain edges or nodes can unexpectedly change the graph characteristics, and choosing the optimal perturbing ratio for each dataset requires onerous manual tuning. In this paper, we introduce Implicit Graph Contrastive Learning (iGCL), which utilizes augmentations in the latent space learned from a Variational Graph Auto-Encoder by reconstructing graph topological structure. Importantly, instead of explicitly sampling augmentations from latent distributions, we further propose an upper bound for the expected contrastive loss to improve the efficiency of our learning algorithm. Thus, graph semantics can be preserved within the augmentations in an intelligent way without arbitrary manual design or prior human knowledge. Experimental results on both graph-level and node-level tasks show that the proposed method achieves state-of-the-art performance compared to other benchmarks, where ablation studies in the end demonstrate the effectiveness of modules in iGCL.

cs.LG↗

arXiv2022

SA-MLP: Distilling Graph Knowledge from GNNs into Structure-Aware MLP

The message-passing mechanism helps Graph Neural Networks (GNNs) achieve remarkable results on various node classification tasks. Nevertheless, the recursive nodes fetching and aggregation in message-passing cause inference latency when deploying GNNs to large-scale graphs. One promising inference acceleration direction is to distill the GNNs into message-passing-free student multi-layer perceptrons (MLPs). However, the MLP student cannot fully learn the structure knowledge due to the lack of structure inputs, which causes inferior performance in the heterophily and inductive scenarios. To address this, we intend to inject structure information into MLP-like students in low-latency and interpretable ways. Specifically, we first design a Structure-Aware MLP (SA-MLP) student that encodes both features and structures without message-passing. Then, we introduce a novel structure-mixing knowledge distillation strategy to enhance the learning ability of MLPs for structure information. Furthermore, we design a latent structure embedding approximation technique with two-stage distillation for inductive scenarios. Extensive experiments on eight benchmark datasets under both transductive and inductive settings show that our SA-MLP can consistently outperform the teacher GNNs, while maintaining faster inference as MLPs. The source code of our work can be found in https://github.com/JC-202/SA-MLP.

cs.LG↗

arXiv2022

Generalized energy and gradient flow via graph framelets

In this work, we provide a theoretical understanding of the framelet-based graph neural networks through the perspective of energy gradient flow. By viewing the framelet-based models as discretized gradient flows of some energy, we show it can induce both low-frequency and high-frequency-dominated dynamics, via the separate weight matrices for different frequency components. This substantiates its good empirical performance on both homophilic and heterophilic graphs. We then propose a generalized energy via framelet decomposition and show its gradient flow leads to a novel graph neural network, which includes many existing models as special cases. We then explain how the proposed model generally leads to more flexible dynamics, thus potentially enhancing the representation power of graph neural networks.

cs.LG↗

arXiv2022

Riemannian accelerated gradient methods via extrapolation

In this paper, we propose a simple acceleration scheme for Riemannian gradient methods by extrapolating iterates on manifolds. We show when the iterates are generated from Riemannian gradient descent method, the accelerated scheme achieves the optimal convergence rate asymptotically and is computationally more favorable than the recently proposed Riemannian Nesterov accelerated gradient methods. Our experiments verify the practical benefit of the novel acceleration strategy.

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arXiv2022

Universal Deep GNNs: Rethinking Residual Connection in GNNs from a Path Decomposition Perspective for Preventing the Over-smoothing

The performance of GNNs degrades as they become deeper due to the over-smoothing. Among all the attempts to prevent over-smoothing, residual connection is one of the promising methods due to its simplicity. However, recent studies have shown that GNNs with residual connections only slightly slow down the degeneration. The reason why residual connections fail in GNNs is still unknown. In this paper, we investigate the forward and backward behavior of GNNs with residual connections from a novel path decomposition perspective. We find that the recursive aggregation of the median length paths from the binomial distribution of residual connection paths dominates output representation, resulting in over-smoothing as GNNs go deeper. Entangled propagation and weight matrices cause gradient smoothing and prevent GNNs with residual connections from optimizing to the identity mapping. Based on these findings, we present a Universal Deep GNNs (UDGNN) framework with cold-start adaptive residual connections (DRIVE) and feedforward modules. Extensive experiments demonstrate the effectiveness of our method, which achieves state-of-the-art results over non-smooth heterophily datasets by simply stacking standard GNNs.

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arXiv2022

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.

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arXiv2022

A Simple Yet Effective SVD-GCN for Directed Graphs

In this paper, we propose a simple yet effective graph neural network for directed graphs (digraph) based on the classic Singular Value Decomposition (SVD), named SVD-GCN. The new graph neural network is built upon the graph SVD-framelet to better decompose graph signals on the SVD ``frequency'' bands. Further the new framelet SVD-GCN is also scaled up for larger scale graphs via using Chebyshev polynomial approximation. Through empirical experiments conducted on several node classification datasets, we have found that SVD-GCN has remarkable improvements in a variety of graph node learning tasks and it outperforms GCN and many other state-of-the-art graph neural networks for digraphs. Moreover, we empirically demonstate that the SVD-GCN has great denoising capability and robustness to high level graph data attacks. The theoretical and experimental results prove that the SVD-GCN is effective on a variant of graph datasets, meanwhile maintaining stable and even better performance than the state-of-the-arts.

cs.LG↗

arXiv2022

Differentially private Riemannian optimization

In this paper, we study the differentially private empirical risk minimization problem where the parameter is constrained to a Riemannian manifold. We introduce a framework of differentially private Riemannian optimization by adding noise to the Riemannian gradient on the tangent space. The noise follows a Gaussian distribution intrinsically defined with respect to the Riemannian metric. We adapt the Gaussian mechanism from the Euclidean space to the tangent space compatible to such generalized Gaussian distribution. We show that this strategy presents a simple analysis as compared to directly adding noise on the manifold. We further show privacy guarantees of the proposed differentially private Riemannian (stochastic) gradient descent using an extension of the moments accountant technique. Additionally, we prove utility guarantees under geodesic (strongly) convex, general nonconvex objectives as well as under the Riemannian Polyak-Łojasiewicz condition. We show the efficacy of the proposed framework in several applications.

math.OC↗

arXiv2022

OTExtSum: Extractive Text Summarisation with Optimal Transport

Extractive text summarisation aims to select salient sentences from a document to form a short yet informative summary. While learning-based methods have achieved promising results, they have several limitations, such as dependence on expensive training and lack of interpretability. Therefore, in this paper, we propose a novel non-learning-based method by for the first time formulating text summarisation as an Optimal Transport (OT) problem, namely Optimal Transport Extractive Summariser (OTExtSum). Optimal sentence extraction is conceptualised as obtaining an optimal summary that minimises the transportation cost to a given document regarding their semantic distributions. Such a cost is defined by the Wasserstein distance and used to measure the summary's semantic coverage of the original document. Comprehensive experiments on four challenging and widely used datasets - MultiNews, PubMed, BillSum, and CNN/DM demonstrate that our proposed method outperforms the state-of-the-art non-learning-based methods and several recent learning-based methods in terms of the ROUGE metric.

cs.CL↗

arXiv2022

Graph Decoupling Attention Markov Networks for Semi-supervised Graph Node Classification

Graph neural networks (GNN) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance, due to edges connecting nodes with different labels. One approach to alleviate this negative disturbance is to use attention to learn the weights of aggregation, but current attention-based GNNs only consider feature similarity and also suffer from the lack of supervision. In this paper, we consider the label dependency of graph nodes and propose a decoupling attention mechanism to learn both hard and soft attention. The hard attention is learned on labels for a refined graph structure with fewer inter-class edges, so that the aggregation's negative disturbance can be reduced. The soft attention aims to learn the aggregation weights based on features over the refined graph structure to enhance information gains during message passing. Particularly, we formulate our model under the EM framework, and the learned attention is used to guide the label propagation in the M-step and the feature propagation in the E-step, respectively. Extensive experiments are performed on six well-known benchmark graph datasets to verify the effectiveness of the proposed method.

cs.LG↗

arXiv2021

Wasserstein Adversarially Regularized Graph Autoencoder

This paper introduces Wasserstein Adversarially Regularized Graph Autoencoder (WARGA), an implicit generative algorithm that directly regularizes the latent distribution of node embedding to a target distribution via the Wasserstein metric. The proposed method has been validated in tasks of link prediction and node clustering on real-world graphs, in which WARGA generally outperforms state-of-the-art models based on Kullback-Leibler (KL) divergence and typical adversarial framework.

cs.LG↗

arXiv2021

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.

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arXiv2021

How Neural Processes Improve Graph Link Prediction

Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only uses a proportion of the nodes and their links in training, is a more challenging problem in various real-world applications. In this paper, we propose a meta-learning approach with graph neural networks for link prediction: Neural Processes for Graph Neural Networks (NPGNN), which can perform both transductive and inductive learning tasks and adapt to patterns in a large new graph after training with a small subgraph. Experiments on real-world graphs are conducted to validate our model, where the results suggest that the proposed method achieves stronger performance compared to other state-of-the-art models, and meanwhile generalizes well when training on a small subgraph.

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arXiv2021

Neural Ordinary Differential Equation Model for Evolutionary Subspace Clustering and Its Applications

The neural ordinary differential equation (neural ODE) model has attracted increasing attention in time series analysis for its capability to process irregular time steps, i.e., data are not observed over equally-spaced time intervals. In multi-dimensional time series analysis, a task is to conduct evolutionary subspace clustering, aiming at clustering temporal data according to their evolving low-dimensional subspace structures. Many existing methods can only process time series with regular time steps while time series are unevenly sampled in many situations such as missing data. In this paper, we propose a neural ODE model for evolutionary subspace clustering to overcome this limitation and a new objective function with subspace self-expressiveness constraint is introduced. We demonstrate that this method can not only interpolate data at any time step for the evolutionary subspace clustering task, but also achieve higher accuracy than other state-of-the-art evolutionary subspace clustering methods. Both synthetic and real-world data are used to illustrate the efficacy of our proposed method.

cs.LG↗

arXiv2021

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. We decompose an input graph into low-pass and high-pass frequencies coefficients 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 node and graph prediction tasks. Moreover, we propose shrinkage as a new activation for the framelet convolution, which thresholds high-frequency information at different scales. Compared to ReLU, shrinkage activation improves model performance on 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 well-preserved prediction performance.

cs.LG↗

arXiv2021

Differentiable Neural Architecture Search with Morphism-based Transformable Backbone Architectures

This study aims at making the architecture search process more adaptive for one-shot or online training. It is extended from the existing study on differentiable neural architecture search, and we made the backbone architecture transformable rather than fixed during the training process. As is known, differentiable neural architecture search (DARTS) requires a pre-defined over-parameterized backbone architecture, while its size is to be determined manually. Also, in DARTS backbone, Hadamard product of two elements is not introduced, which exists in both LSTM and GRU cells for recurrent nets. This study introduces a growing mechanism for differentiable neural architecture search based on network morphism. It enables growing of the cell structures from small size towards large size ones with one-shot training. Two modes can be applied in integrating the growing and original pruning process. We also implement a recently proposed two-input backbone architecture for recurrent neural networks. Initial experimental results indicate that our approach and the two-input backbone structure can be quite effective compared with other baseline architectures including LSTM, in a variety of learning tasks including multi-variate time series forecasting and language modeling. On the other hand, we find that dynamic network transformation is promising in improving the efficiency of differentiable architecture search.

cs.AI↗

arXiv2021

A Discussion On the Validity of Manifold Learning

Dimensionality reduction (DR) and manifold learning (ManL) have been applied extensively in many machine learning tasks, including signal processing, speech recognition, and neuroinformatics. However, the understanding of whether DR and ManL models can generate valid learning results remains unclear. In this work, we investigate the validity of learning results of some widely used DR and ManL methods through the chart mapping function of a manifold. We identify a fundamental problem of these methods: the mapping functions induced by these methods violate the basic settings of manifolds, and hence they are not learning manifold in the mathematical sense. To address this problem, we provide a provably correct algorithm called fixed points Laplacian mapping (FPLM), that has the geometric guarantee to find a valid manifold representation (up to a homeomorphism). Combining one additional condition(orientation preserving), we discuss a sufficient condition for an algorithm to be bijective for any d-simplex decomposition result on a d-manifold. However, constructing such a mapping function and its computational method satisfying these conditions is still an open problem in mathematics.

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arXiv2021

On Riemannian Optimization over Positive Definite Matrices with the Bures-Wasserstein Geometry

In this paper, we comparatively analyze the Bures-Wasserstein (BW) geometry with the popular Affine-Invariant (AI) geometry for Riemannian optimization on the symmetric positive definite (SPD) matrix manifold. Our study begins with an observation that the BW metric has a linear dependence on SPD matrices in contrast to the quadratic dependence of the AI metric. We build on this to show that the BW metric is a more suitable and robust choice for several Riemannian optimization problems over ill-conditioned SPD matrices. We show that the BW geometry has a non-negative curvature, which further improves convergence rates of algorithms over the non-positively curved AI geometry. Finally, we verify that several popular cost functions, which are known to be geodesic convex under the AI geometry, are also geodesic convex under the BW geometry. Extensive experiments on various applications support our findings.

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