A Survey of Deep Graph Clustering: Taxonomy, Challenge, and Application

Graph clustering, which aims to divide the nodes in the graph into several distinct clusters, is a fundamental and challenging task. In recent years, deep graph clustering methods have been increasingly proposed and achieved promising performance. However, the corresponding survey paper is scarce and it is imminent to make a summary in this field. From this motivation, this paper makes the first comprehensive survey of deep graph clustering. Firstly, the detailed definition of deep graph clustering and the important baseline methods are introduced. Besides, the taxonomy of deep graph clustering methods is proposed based on four different criteria including graph type, network architecture, learning paradigm, and clustering method. In addition, through the careful analysis of the existing works, the challenges and opportunities from five perspectives are summarized. At last, the applications of deep graph clustering in four domains are presented. It is worth mentioning that a collection of state-of-the-art deep graph clustering methods including papers, codes, and datasets is available on GitHub. We hope this work will serve as a quick guide and help researchers to overcome challenges in this vibrant field.

Relational Symmetry based Knowledge Graph Contrastive Learning

Knowledge graph embedding (KGE) aims to learn powerful representations to benefit various artificial intelligence applications, such as question answering and recommendations. Meanwhile, contrastive learning (CL), as an effective mechanism to enhance the discriminative capacity of the learned representations, has been leveraged in different fields, especially graph-based models. However, since the structures of knowledge graphs (KGs) are usually more complicated compared to homogeneous graphs, it is hard to construct appropriate contrastive sample pairs. In this paper, we find that the entities within a symmetrical structure are usually more similar and correlated. This key property can be utilized to construct contrastive positive pairs for contrastive learning. Following the ideas above, we propose a relational symmetrical structure based knowledge graph contrastive learning framework, termed KGE-SymCL, which leverages the symmetrical structure information in KGs to enhance the discriminative ability of KGE models. Concretely, a plug-and-play approach is designed by taking the entities in the relational symmetrical positions as the positive samples. Besides, a self-supervised alignment loss is used to pull together the constructed positive sample pairs for contrastive learning. Extensive experimental results on benchmark datasets have verified the good generalization and superiority of the proposed framework.

A Systematic Survey of Molecular Pre-trained Models

Obtaining effective molecular representations is at the core of a series of important chemical tasks ranging from property prediction to drug design. So far, deep learning has achieved remarkable success in learning representations for molecules through automated feature learning in a data-driven fashion. However, training deep neural networks from scratch often requires sufficient labeled molecules which are expensive to acquire in real-world scenarios. To alleviate this issue, inspired by the success of the pretrain-then-finetune paradigm in natural language processing, tremendous efforts have been devoted to Molecular Pre-trained Models (MPMs), where neural networks are pre-trained using large-scale unlabeled molecular databases and then fine-tuned for diverse downstream tasks. Despite the prosperity, this field is fast-growing and a systematic roadmap is urgently needed for both methodology advancements and practical applications in both machine learning and scientific communities. To this end, this paper provides a systematic survey of pre-trained models for molecular representations. Firstly, to motivate MPMs studies, we highlight the limitations of training deep neural networks for molecular representations. Next, we systematically review recent advances on this topic from several key perspectives including molecular descriptors, encoder architectures, pre-training strategies, and applications. Finally, we identify several challenges and discuss promising future research directions.

High Dynamic Range Image Quality Assessment Based on Frequency Disparity

In this paper, a novel and effective image quality assessment (IQA) algorithm based on frequency disparity for high dynamic range (HDR) images is proposed, termed as local-global frequency feature-based model (LGFM). Motivated by the assumption that the human visual system is highly adapted for extracting structural information and partial frequencies when perceiving the visual scene, the Gabor and the Butterworth filters are applied to the luminance of the HDR image to extract local and global frequency features, respectively. The similarity measurement and feature pooling are sequentially performed on the frequency features to obtain the predicted quality score. The experiments evaluated on four widely used benchmarks demonstrate that the proposed LGFM can provide a higher consistency with the subjective perception compared with the state-of-the-art HDR IQA methods. Our code is available at: \url{https://github.com/eezkni/LGFM}.

PatchDropout: Economizing Vision Transformers Using Patch Dropout

Vision transformers have demonstrated the potential to outperform CNNs in a variety of vision tasks. But the computational and memory requirements of these models prohibit their use in many applications, especially those that depend on high-resolution images, such as medical image classification. Efforts to train ViTs more efficiently are overly complicated, necessitating architectural changes or intricate training schemes. In this work, we show that standard ViT models can be efficiently trained at high resolution by randomly dropping input image patches. This simple approach, PatchDropout, reduces FLOPs and memory by at least 50% in standard natural image datasets such as ImageNet, and those savings only increase with image size. On CSAW, a high-resolution medical dataset, we observe a 5 times savings in computation and memory using PatchDropout, along with a boost in performance. For practitioners with a fixed computational or memory budget, PatchDropout makes it possible to choose image resolution, hyperparameters, or model size to get the most performance out of their model.

Sparse-based Domain Adaptation Network for OCTA Image Super-Resolution Reconstruction

Retinal Optical Coherence Tomography Angiography (OCTA) with high-resolution is important for the quantification and analysis of retinal vasculature. However, the resolution of OCTA images is inversely proportional to the field of view at the same sampling frequency, which is not conducive to clinicians for analyzing larger vascular areas. In this paper, we propose a novel Sparse-based domain Adaptation Super-Resolution network (SASR) for the reconstruction of realistic 6x6 mm2/low-resolution (LR) OCTA images to high-resolution (HR) representations. To be more specific, we first perform a simple degradation of the 3x3 mm2/high-resolution (HR) image to obtain the synthetic LR image. An efficient registration method is then employed to register the synthetic LR with its corresponding 3x3 mm2 image region within the 6x6 mm2 image to obtain the cropped realistic LR image. We then propose a multi-level super-resolution model for the fully-supervised reconstruction of the synthetic data, guiding the reconstruction of the realistic LR images through a generative-adversarial strategy that allows the synthetic and realistic LR images to be unified in the feature domain. Finally, a novel sparse edge-aware loss is designed to dynamically optimize the vessel edge structure. Extensive experiments on two OCTA sets have shown that our method performs better than state-of-the-art super-resolution reconstruction methods. In addition, we have investigated the performance of the reconstruction results on retina structure segmentations, which further validate the effectiveness of our approach.

Multiple Kernel Clustering with Dual Noise Minimization

Clustering is a representative unsupervised method widely applied in multi-modal and multi-view scenarios. Multiple kernel clustering (MKC) aims to group data by integrating complementary information from base kernels. As a representative, late fusion MKC first decomposes the kernels into orthogonal partition matrices, then learns a consensus one from them, achieving promising performance recently. However, these methods fail to consider the noise inside the partition matrix, preventing further improvement of clustering performance. We discover that the noise can be disassembled into separable dual parts, i.e. N-noise and C-noise (Null space noise and Column space noise). In this paper, we rigorously define dual noise and propose a novel parameter-free MKC algorithm by minimizing them. To solve the resultant optimization problem, we design an efficient two-step iterative strategy. To our best knowledge, it is the first time to investigate dual noise within the partition in the kernel space. We observe that dual noise will pollute the block diagonal structures and incur the degeneration of clustering performance, and C-noise exhibits stronger destruction than N-noise. Owing to our efficient mechanism to minimize dual noise, the proposed algorithm surpasses the recent methods by large margins.

On the Representation of Causal Background Knowledge and its Applications in Causal Inference

Causal background knowledge about the existence or the absence of causal edges and paths is frequently encountered in observational studies. The shared directed edges and links of a subclass of Markov equivalent DAGs refined due to background knowledge can be represented by a causal maximally partially directed acyclic graph (MPDAG). In this paper, we first provide a sound and complete graphical characterization of causal MPDAGs and give a minimal representation of a causal MPDAG. Then, we introduce a novel representation called direct causal clause (DCC) to represent all types of causal background knowledge in a unified form. Using DCCs, we study the consistency and equivalency of causal background knowledge and show that any causal background knowledge set can be equivalently decomposed into a causal MPDAG plus a minimal residual set of DCCs. Polynomial-time algorithms are also provided for checking the consistency, equivalency, and finding the decomposed MPDAG and residual DCCs. Finally, with causal background knowledge, we prove a sufficient and necessary condition to identify causal effects and surprisingly find that the identifiability of causal effects only depends on the decomposed MPDAG. We also develop a local IDA-type algorithm to estimate the possible values of an unidentifiable effect. Simulations suggest that causal background knowledge can significantly improve the identifiability of causal effects.

Spatial Transformation for Image Composition via Correspondence Learning

When using cut-and-paste to acquire a composite image, the geometry inconsistency between foreground and background may severely harm its fidelity. To address the geometry inconsistency in composite images, several existing works learned to warp the foreground object for geometric correction. However, the absence of annotated dataset results in unsatisfactory performance and unreliable evaluation. In this work, we contribute a Spatial TRAnsformation for virtual Try-on (STRAT) dataset covering three typical application scenarios. Moreover, previous works simply concatenate foreground and background as input without considering their mutual correspondence. Instead, we propose a novel correspondence learning network (CorrelNet) to model the correspondence between foreground and background using cross-attention maps, based on which we can predict the target coordinate that each source coordinate of foreground should be mapped to on the background. Then, the warping parameters of foreground object can be derived from pairs of source and target coordinates. Additionally, we learn a filtering mask to eliminate noisy pairs of coordinates to estimate more accurate warping parameters. Extensive experiments on our STRAT dataset demonstrate that our proposed CorrelNet performs more favorably against previous methods.

Interpolation-based Correlation Reduction Network for Semi-Supervised Graph Learning

Graph Neural Networks (GNNs) have achieved promising performance in semi-supervised node classification in recent years. However, the problem of insufficient supervision, together with representation collapse, largely limits the performance of the GNNs in this field. To alleviate the collapse of node representations in semi-supervised scenario, we propose a novel graph contrastive learning method, termed Interpolation-based Correlation Reduction Network (ICRN). In our method, we improve the discriminative capability of the latent feature by enlarging the margin of decision boundaries and improving the cross-view consistency of the latent representation. Specifically, we first adopt an interpolation-based strategy to conduct data augmentation in the latent space and then force the prediction model to change linearly between samples. Second, we enable the learned network to tell apart samples across two interpolation-perturbed views through forcing the correlation matrix across views to approximate an identity matrix. By combining the two settings, we extract rich supervision information from both the abundant unlabeled nodes and the rare yet valuable labeled nodes for discriminative representation learning. Extensive experimental results on six datasets demonstrate the effectiveness and the generality of ICRN compared to the existing state-of-the-art methods.