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Graphs are widely used to encapsulate a variety of data formats, but real-world networks often involve complex node relations beyond only being pairwise. While hypergraphs and hierarchical graphs have been developed and employed to account for the complex node relations, they cannot fully represent these complexities in practice. Additionally, though many Graph Neural Networks (GNNs) have been proposed for representation learning on higher-order graphs, they are usually only evaluated on simple graph datasets. Therefore, there is a need for a unified modelling of higher-order graphs, and a collection of comprehensive datasets with an accessible evaluation framework to fully understand the performance of these algorithms on complex graphs. In this paper, we introduce the concept of hybrid graphs, a unified definition for higher-order graphs, and present the Hybrid Graph Benchmark (HGB). HGB contains 23 real-world hybrid graph datasets across various domains such as biology, social media, and e-commerce. Furthermore, we provide an extensible evaluation framework and a supporting codebase to facilitate the training and evaluation of GNNs on HGB. Our empirical study of existing GNNs on HGB reveals various research opportunities and gaps, including (1) evaluating the actual performance improvement of hypergraph GNNs over simple graph GNNs; (2) comparing the impact of different sampling strategies on hybrid graph learning methods; and (3) exploring ways to integrate simple graph and hypergraph information. We make our source code and full datasets publicly available at //zehui127.github.io/hybrid-graph-benchmark/.

We examine the relationship between privacy metrics that utilize information density to measure information leakage between a private and a disclosed random variable. Firstly, we prove that bounding the information density from above or below in turn implies a lower or upper bound on the information density, respectively. Using this result, we establish new relationships between local information privacy, asymmetric local information privacy, pointwise maximal leakage and local differential privacy. We further provide applications of these relations to privacy mechanism design. Furthermore, we provide statements showing the equivalence between a lower bound on information density and risk-averse adversaries. More specifically, we prove an equivalence between a guessing framework and a cost-function framework that result in the desired lower bound on the information density.

Bayesian networks model relationships between random variables under uncertainty and can be used to predict the likelihood of events and outcomes while incorporating observed evidence. From an eXplainable AI (XAI) perspective, such models are interesting as they tend to be compact. Moreover, captured relations can be directly inspected by domain experts. In practice, data is often real-valued. Unless assumptions of normality can be made, discretization is often required. The optimal discretization, however, depends on the relations modelled between the variables. This complicates learning Bayesian networks from data. For this reason, most literature focuses on learning conditional dependencies between sets of variables, called structure learning. In this work, we extend an existing state-of-the-art structure learning approach based on the Gene-pool Optimal Mixing Evolutionary Algorithm (GOMEA) to jointly learn variable discretizations. The proposed Discretized Bayesian Network GOMEA (DBN-GOMEA) obtains similar or better results than the current state-of-the-art when tasked to retrieve randomly generated ground-truth networks. Moreover, leveraging a key strength of evolutionary algorithms, we can straightforwardly perform DBN learning multi-objectively. We show how this enables incorporating expert knowledge in a uniquely insightful fashion, finding multiple DBNs that trade-off complexity, accuracy, and the difference with a pre-determined expert network.

Deep unfolding network (DUN) that unfolds the optimization algorithm into a deep neural network has achieved great success in compressive sensing (CS) due to its good interpretability and high performance. Each stage in DUN corresponds to one iteration in optimization. At the test time, all the sampling images generally need to be processed by all stages, which comes at a price of computation burden and is also unnecessary for the images whose contents are easier to restore. In this paper, we focus on CS reconstruction and propose a novel Dynamic Path-Controllable Deep Unfolding Network (DPC-DUN). DPC-DUN with our designed path-controllable selector can dynamically select a rapid and appropriate route for each image and is slimmable by regulating different performance-complexity tradeoffs. Extensive experiments show that our DPC-DUN is highly flexible and can provide excellent performance and dynamic adjustment to get a suitable tradeoff, thus addressing the main requirements to become appealing in practice. Codes are available at //github.com/songjiechong/DPC-DUN.

Decision trees built with data remain in widespread use for nonparametric prediction. Predicting probability distributions is preferred over point predictions when uncertainty plays a prominent role in analysis and decision-making. We study modifying a tree to produce nonparametric predictive distributions. We find the standard method for building trees may not result in good predictive distributions and propose changing the splitting criteria for trees to one based on proper scoring rules. Analysis of both simulated data and several real datasets demonstrates that using these new splitting criteria results in trees with improved predictive properties considering the entire predictive distribution.

We consider hypergraph network design problems where the goal is to construct a hypergraph that satisfies certain connectivity requirements. For graph network design problems where the goal is to construct a graph that satisfies certain connectivity requirements, the number of edges in every feasible solution is at most quadratic in the number of vertices. In contrast, for hypergraph network design problems, we might have feasible solutions in which the number of hyperedges is exponential in the number of vertices. This presents an additional technical challenge in hypergraph network design problems compared to graph network design problems: in order to solve the problem in polynomial time, we first need to show that there exists a feasible solution in which the number of hyperedges is polynomial in the input size. The central theme of this work is to show that certain hypergraph network design problems admit solutions in which the number of hyperedges is polynomial in the number of vertices and moreover, can be solved in strongly polynomial time. Our work improves on the previous fastest pseudo-polynomial run-time for these problems. In addition, we develop strongly polynomial time algorithms that return near-uniform hypergraphs as solutions (i.e., every pair of hyperedges differ in size by at most one). As applications of our results, we derive the first strongly polynomial time algorithms for (i) degree-specified hypergraph connectivity augmentation using hyperedges, (ii) degree-specified hypergraph node-to-area connectivity augmentation using hyperedges, and (iii) degree-constrained mixed-hypergraph connectivity augmentation using hyperedges.

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

A large number of real-world graphs or networks are inherently heterogeneous, involving a diversity of node types and relation types. Heterogeneous graph embedding is to embed rich structural and semantic information of a heterogeneous graph into low-dimensional node representations. Existing models usually define multiple metapaths in a heterogeneous graph to capture the composite relations and guide neighbor selection. However, these models either omit node content features, discard intermediate nodes along the metapath, or only consider one metapath. To address these three limitations, we propose a new model named Metapath Aggregated Graph Neural Network (MAGNN) to boost the final performance. Specifically, MAGNN employs three major components, i.e., the node content transformation to encapsulate input node attributes, the intra-metapath aggregation to incorporate intermediate semantic nodes, and the inter-metapath aggregation to combine messages from multiple metapaths. Extensive experiments on three real-world heterogeneous graph datasets for node classification, node clustering, and link prediction show that MAGNN achieves more accurate prediction results than state-of-the-art baselines.

Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.