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Bayesian neural networks (BNN) promise to combine the predictive performance of neural networks with principled uncertainty modeling important for safety-critical systems and decision making. However, posterior uncertainty estimates depend on the choice of prior, and finding informative priors in weight-space has proven difficult. This has motivated variational inference (VI) methods that pose priors directly on the function generated by the BNN rather than on weights. In this paper, we address a fundamental issue with such function-space VI approaches pointed out by Burt et al. (2020), who showed that the objective function (ELBO) is negative infinite for most priors of interest. Our solution builds on generalized VI (Knoblauch et al., 2019) with the regularized KL divergence (Quang, 2019) and is, to the best of our knowledge, the first well-defined variational objective for function-space inference in BNNs with Gaussian process (GP) priors. Experiments show that our method incorporates the properties specified by the GP prior on synthetic and small real-world data sets, and provides competitive uncertainty estimates for regression, classification and out-of-distribution detection compared to BNN baselines with both function and weight-space priors.

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Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

Edge computing facilitates low-latency services at the network's edge by distributing computation, communication, and storage resources within the geographic proximity of mobile and Internet-of-Things (IoT) devices. The recent advancement in Unmanned Aerial Vehicles (UAVs) technologies has opened new opportunities for edge computing in military operations, disaster response, or remote areas where traditional terrestrial networks are limited or unavailable. In such environments, UAVs can be deployed as aerial edge servers or relays to facilitate edge computing services. This form of computing is also known as UAV-enabled Edge Computing (UEC), which offers several unique benefits such as mobility, line-of-sight, flexibility, computational capability, and cost-efficiency. However, the resources on UAVs, edge servers, and IoT devices are typically very limited in the context of UEC. Efficient resource management is, therefore, a critical research challenge in UEC. In this article, we present a survey on the existing research in UEC from the resource management perspective. We identify a conceptual architecture, different types of collaborations, wireless communication models, research directions, key techniques and performance indicators for resource management in UEC. We also present a taxonomy of resource management in UEC. Finally, we identify and discuss some open research challenges that can stimulate future research directions for resource management in UEC.

Deep reinforcement learning algorithms can perform poorly in real-world tasks due to the discrepancy between source and target environments. This discrepancy is commonly viewed as the disturbance in transition dynamics. Many existing algorithms learn robust policies by modeling the disturbance and applying it to source environments during training, which usually requires prior knowledge about the disturbance and control of simulators. However, these algorithms can fail in scenarios where the disturbance from target environments is unknown or is intractable to model in simulators. To tackle this problem, we propose a novel model-free actor-critic algorithm -- namely, state-conservative policy optimization (SCPO) -- to learn robust policies without modeling the disturbance in advance. Specifically, SCPO reduces the disturbance in transition dynamics to that in state space and then approximates it by a simple gradient-based regularizer. The appealing features of SCPO include that it is simple to implement and does not require additional knowledge about the disturbance or specially designed simulators. Experiments in several robot control tasks demonstrate that SCPO learns robust policies against the disturbance in transition dynamics.

Unsupervised person re-identification (Re-ID) attracts increasing attention due to its potential to resolve the scalability problem of supervised Re-ID models. Most existing unsupervised methods adopt an iterative clustering mechanism, where the network was trained based on pseudo labels generated by unsupervised clustering. However, clustering errors are inevitable. To generate high-quality pseudo-labels and mitigate the impact of clustering errors, we propose a novel clustering relationship modeling framework for unsupervised person Re-ID. Specifically, before clustering, the relation between unlabeled images is explored based on a graph correlation learning (GCL) module and the refined features are then used for clustering to generate high-quality pseudo-labels.Thus, GCL adaptively mines the relationship between samples in a mini-batch to reduce the impact of abnormal clustering when training. To train the network more effectively, we further propose a selective contrastive learning (SCL) method with a selective memory bank update policy. Extensive experiments demonstrate that our method shows much better results than most state-of-the-art unsupervised methods on Market1501, DukeMTMC-reID and MSMT17 datasets. We will release the code for model reproduction.

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.

Heterogeneous graph neural networks (HGNNs) as an emerging technique have shown superior capacity of dealing with heterogeneous information network (HIN). However, most HGNNs follow a semi-supervised learning manner, which notably limits their wide use in reality since labels are usually scarce in real applications. Recently, contrastive learning, a self-supervised method, becomes one of the most exciting learning paradigms and shows great potential when there are no labels. In this paper, we study the problem of self-supervised HGNNs and propose a novel co-contrastive learning mechanism for HGNNs, named HeCo. Different from traditional contrastive learning which only focuses on contrasting positive and negative samples, HeCo employs cross-viewcontrastive mechanism. Specifically, two views of a HIN (network schema and meta-path views) are proposed to learn node embeddings, so as to capture both of local and high-order structures simultaneously. Then the cross-view contrastive learning, as well as a view mask mechanism, is proposed, which is able to extract the positive and negative embeddings from two views. This enables the two views to collaboratively supervise each other and finally learn high-level node embeddings. Moreover, two extensions of HeCo are designed to generate harder negative samples with high quality, which further boosts the performance of HeCo. Extensive experiments conducted on a variety of real-world networks show the superior performance of the proposed methods over the state-of-the-arts.

Graph neural networks (GNNs) have been proven to be effective in various network-related tasks. Most existing GNNs usually exploit the low-frequency signals of node features, which gives rise to one fundamental question: is the low-frequency information all we need in the real world applications? In this paper, we first present an experimental investigation assessing the roles of low-frequency and high-frequency signals, where the results clearly show that exploring low-frequency signal only is distant from learning an effective node representation in different scenarios. How can we adaptively learn more information beyond low-frequency information in GNNs? A well-informed answer can help GNNs enhance the adaptability. We tackle this challenge and propose a novel Frequency Adaptation Graph Convolutional Networks (FAGCN) with a self-gating mechanism, which can adaptively integrate different signals in the process of message passing. For a deeper understanding, we theoretically analyze the roles of low-frequency signals and high-frequency signals on learning node representations, which further explains why FAGCN can perform well on different types of networks. Extensive experiments on six real-world networks validate that FAGCN not only alleviates the over-smoothing problem, but also has advantages over the state-of-the-arts.

Graph neural networks (GNNs) have emerged as a powerful paradigm for embedding-based entity alignment due to their capability of identifying isomorphic subgraphs. However, in real knowledge graphs (KGs), the counterpart entities usually have non-isomorphic neighborhood structures, which easily causes GNNs to yield different representations for them. To tackle this problem, we propose a new KG alignment network, namely AliNet, aiming at mitigating the non-isomorphism of neighborhood structures in an end-to-end manner. As the direct neighbors of counterpart entities are usually dissimilar due to the schema heterogeneity, AliNet introduces distant neighbors to expand the overlap between their neighborhood structures. It employs an attention mechanism to highlight helpful distant neighbors and reduce noises. Then, it controls the aggregation of both direct and distant neighborhood information using a gating mechanism. We further propose a relation loss to refine entity representations. We perform thorough experiments with detailed ablation studies and analyses on five entity alignment datasets, demonstrating the effectiveness of AliNet.

Most existing knowledge graphs suffer from incompleteness, which can be alleviated by inferring missing links based on known facts. One popular way to accomplish this is to generate low-dimensional embeddings of entities and relations, and use these to make inferences. ConvE, a recently proposed approach, applies convolutional filters on 2D reshapings of entity and relation embeddings in order to capture rich interactions between their components. However, the number of interactions that ConvE can capture is limited. In this paper, we analyze how increasing the number of these interactions affects link prediction performance, and utilize our observations to propose InteractE. InteractE is based on three key ideas -- feature permutation, a novel feature reshaping, and circular convolution. Through extensive experiments, we find that InteractE outperforms state-of-the-art convolutional link prediction baselines on FB15k-237. Further, InteractE achieves an MRR score that is 9%, 7.5%, and 23% better than ConvE on the FB15k-237, WN18RR and YAGO3-10 datasets respectively. The results validate our central hypothesis -- that increasing feature interaction is beneficial to link prediction performance. We make the source code of InteractE available to encourage reproducible research.

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