Graph contrastive learning has emerged as a powerful tool for unsupervised graph representation learning. The key to the success of graph contrastive learning is to acquire high-quality positive and negative samples as contrasting pairs for the purpose of learning underlying structural semantics of the input graph. Recent works usually sample negative samples from the same training batch with the positive samples, or from an external irrelevant graph. However, a significant limitation lies in such strategies, which is the unavoidable problem of sampling false negative samples. In this paper, we propose a novel method to utilize \textbf{C}ounterfactual mechanism to generate artificial hard negative samples for \textbf{G}raph \textbf{C}ontrastive learning, namely \textbf{CGC}, which has a different perspective compared to those sampling-based strategies. We utilize counterfactual mechanism to produce hard negative samples, which ensures that the generated samples are similar to, but have labels that different from the positive sample. The proposed method achieves satisfying results on several datasets compared to some traditional unsupervised graph learning methods and some SOTA graph contrastive learning methods. We also conduct some supplementary experiments to give an extensive illustration of the proposed method, including the performances of CGC with different hard negative samples and evaluations for hard negative samples generated with different similarity measurements.
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Existing NTMs with contrastive learning suffer from the sample bias problem owing to the word frequency-based sampling strategy, which may result in false negative samples with similar semantics to the prototypes. In this paper, we aim to explore the efficient sampling strategy and contrastive learning in NTMs to address the aforementioned issue. We propose a new sampling assumption that negative samples should contain words that are semantically irrelevant to the prototype. Based on it, we propose the graph contrastive topic model (GCTM), which conducts graph contrastive learning (GCL) using informative positive and negative samples that are generated by the graph-based sampling strategy leveraging in-depth correlation and irrelevance among documents and words. In GCTM, we first model the input document as the document word bipartite graph (DWBG), and construct positive and negative word co-occurrence graphs (WCGs), encoded by graph neural networks, to express in-depth semantic correlation and irrelevance among words. Based on the DWBG and WCGs, we design the document-word information propagation (DWIP) process to perform the edge perturbation of DWBG, based on multi-hop correlations/irrelevance among documents and words. This yields the desired negative and positive samples, which will be utilized for GCL together with the prototypes to improve learning document topic representations and latent topics. We further show that GCL can be interpreted as the structured variational graph auto-encoder which maximizes the mutual information of latent topic representations of different perspectives on DWBG. Experiments on several benchmark datasets demonstrate the effectiveness of our method for topic coherence and document representation learning compared with existing SOTA methods.
Pseudo Labeling is a technique used to improve the performance of semi-supervised Graph Neural Networks (GNNs) by generating additional pseudo-labels based on confident predictions. However, the quality of generated pseudo-labels has been a longstanding concern due to the sensitivity of the classification objective with respect to the given labels. To avoid the untrustworthy classification supervision indicating ``a node belongs to a specific class,'' we favor the fault-tolerant contrasting supervision demonstrating ``two nodes do not belong to the same class.'' Thus, the problem of generating high-quality pseudo-labels is then transformed into a relaxed version, i.e., identifying reliable negative pairs. To achieve this, we propose a general framework for GNNs, termed Pseudo Contrastive Learning (PCL). It separates two nodes whose positive and negative pseudo-labels target the same class. To incorporate topological knowledge into learning, we devise a topologically weighted contrastive loss that spends more effort separating negative pairs with smaller topological distances. Experimentally, we apply PCL to various GNNs, which consistently outperform their counterparts using other popular general techniques on five real-world graphs.
The chain graph model admits both undirected and directed edges in one graph, where symmetric conditional dependencies are encoded via undirected edges and asymmetric causal relations are encoded via directed edges. Though frequently encountered in practice, the chain graph model has been largely under investigated in literature, possibly due to the lack of identifiability conditions between undirected and directed edges. In this paper, we first establish a set of novel identifiability conditions for the Gaussian chain graph model, exploiting a low rank plus sparse decomposition of the precision matrix. Further, an efficient learning algorithm is built upon the identifiability conditions to fully recover the chain graph structure. Theoretical analysis on the proposed method is conducted, assuring its asymptotic consistency in recovering the exact chain graph structure. The advantage of the proposed method is also supported by numerical experiments on both simulated examples and a real application on the Standard & Poor 500 index data.
In recent years, Graph Neural Networks have reported outstanding performance in tasks like community detection, molecule classification and link prediction. However, the black-box nature of these models prevents their application in domains like health and finance, where understanding the models' decisions is essential. Counterfactual Explanations (CE) provide these understandings through examples. Moreover, the literature on CE is flourishing with novel explanation methods which are tailored to graph learning. In this survey, we analyse the existing Graph Counterfactual Explanation methods, by providing the reader with an organisation of the literature according to a uniform formal notation for definitions, datasets, and metrics, thus, simplifying potential comparisons w.r.t to the method advantages and disadvantages. We discussed seven methods and sixteen synthetic and real datasets providing details on the possible generation strategies. We highlight the most common evaluation strategies and formalise nine of the metrics used in the literature. We first introduce the evaluation framework GRETEL and how it is possible to extend and use it while providing a further dimension of comparison encompassing reproducibility aspects. Finally, we provide a discussion on how counterfactual explanation interplays with privacy and fairness, before delving into open challenges and future works.
Knowledge graphs represent factual knowledge about the world as relationships between concepts and are critical for intelligent decision making in enterprise applications. New knowledge is inferred from the existing facts in the knowledge graphs by encoding the concepts and relations into low-dimensional feature vector representations. The most effective representations for this task, called Knowledge Graph Embeddings (KGE), are learned through neural network architectures. Due to their impressive predictive performance, they are increasingly used in high-impact domains like healthcare, finance and education. However, are the black-box KGE models adversarially robust for use in domains with high stakes? This thesis argues that state-of-the-art KGE models are vulnerable to data poisoning attacks, that is, their predictive performance can be degraded by systematically crafted perturbations to the training knowledge graph. To support this argument, two novel data poisoning attacks are proposed that craft input deletions or additions at training time to subvert the learned model's performance at inference time. These adversarial attacks target the task of predicting the missing facts in knowledge graphs using KGE models, and the evaluation shows that the simpler attacks are competitive with or outperform the computationally expensive ones. The thesis contributions not only highlight and provide an opportunity to fix the security vulnerabilities of KGE models, but also help to understand the black-box predictive behaviour of KGE models.
Generative models are now capable of producing highly realistic images that look nearly indistinguishable from the data on which they are trained. This raises the question: if we have good enough generative models, do we still need datasets? We investigate this question in the setting of learning general-purpose visual representations from a black-box generative model rather than directly from data. Given an off-the-shelf image generator without any access to its training data, we train representations from the samples output by this generator. We compare several representation learning methods that can be applied to this setting, using the latent space of the generator to generate multiple "views" of the same semantic content. We show that for contrastive methods, this multiview data can naturally be used to identify positive pairs (nearby in latent space) and negative pairs (far apart in latent space). We find that the resulting representations rival those learned directly from real data, but that good performance requires care in the sampling strategy applied and the training method. Generative models can be viewed as a compressed and organized copy of a dataset, and we envision a future where more and more "model zoos" proliferate while datasets become increasingly unwieldy, missing, or private. This paper suggests several techniques for dealing with visual representation learning in such a future. Code is released on our project page: //ali-design.github.io/GenRep/
We present a novel counterfactual framework for both Zero-Shot Learning (ZSL) and Open-Set Recognition (OSR), whose common challenge is generalizing to the unseen-classes by only training on the seen-classes. Our idea stems from the observation that the generated samples for unseen-classes are often out of the true distribution, which causes severe recognition rate imbalance between the seen-class (high) and unseen-class (low). We show that the key reason is that the generation is not Counterfactual Faithful, and thus we propose a faithful one, whose generation is from the sample-specific counterfactual question: What would the sample look like, if we set its class attribute to a certain class, while keeping its sample attribute unchanged? Thanks to the faithfulness, we can apply the Consistency Rule to perform unseen/seen binary classification, by asking: Would its counterfactual still look like itself? If ``yes'', the sample is from a certain class, and ``no'' otherwise. Through extensive experiments on ZSL and OSR, we demonstrate that our framework effectively mitigates the seen/unseen imbalance and hence significantly improves the overall performance. Note that this framework is orthogonal to existing methods, thus, it can serve as a new baseline to evaluate how ZSL/OSR models generalize. Codes are available at //github.com/yue-zhongqi/gcm-cf.
Large knowledge graphs often grow to store temporal facts that model the dynamic relations or interactions of entities along the timeline. Since such temporal knowledge graphs often suffer from incompleteness, it is important to develop time-aware representation learning models that help to infer the missing temporal facts. While the temporal facts are typically evolving, it is observed that many facts often show a repeated pattern along the timeline, such as economic crises and diplomatic activities. This observation indicates that a model could potentially learn much from the known facts appeared in history. To this end, we propose a new representation learning model for temporal knowledge graphs, namely CyGNet, based on a novel timeaware copy-generation mechanism. CyGNet is not only able to predict future facts from the whole entity vocabulary, but also capable of identifying facts with repetition and accordingly predicting such future facts with reference to the known facts in the past. We evaluate the proposed method on the knowledge graph completion task using five benchmark datasets. Extensive experiments demonstrate the effectiveness of CyGNet for predicting future facts with repetition as well as de novo fact prediction.
Properly handling missing data is a fundamental challenge in recommendation. Most present works perform negative sampling from unobserved data to supply the training of recommender models with negative signals. Nevertheless, existing negative sampling strategies, either static or adaptive ones, are insufficient to yield high-quality negative samples --- both informative to model training and reflective of user real needs. In this work, we hypothesize that item knowledge graph (KG), which provides rich relations among items and KG entities, could be useful to infer informative and factual negative samples. Towards this end, we develop a new negative sampling model, Knowledge Graph Policy Network (KGPolicy), which works as a reinforcement learning agent to explore high-quality negatives. Specifically, by conducting our designed exploration operations, it navigates from the target positive interaction, adaptively receives knowledge-aware negative signals, and ultimately yields a potential negative item to train the recommender. We tested on a matrix factorization (MF) model equipped with KGPolicy, and it achieves significant improvements over both state-of-the-art sampling methods like DNS and IRGAN, and KG-enhanced recommender models like KGAT. Further analyses from different angles provide insights of knowledge-aware sampling. We release the codes and datasets at //github.com/xiangwang1223/kgpolicy.
Visual Question Answering (VQA) models have struggled with counting objects in natural images so far. We identify a fundamental problem due to soft attention in these models as a cause. To circumvent this problem, we propose a neural network component that allows robust counting from object proposals. Experiments on a toy task show the effectiveness of this component and we obtain state-of-the-art accuracy on the number category of the VQA v2 dataset without negatively affecting other categories, even outperforming ensemble models with our single model. On a difficult balanced pair metric, the component gives a substantial improvement in counting over a strong baseline by 6.6%.
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