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Spiking Neural Networks (SNNs) are a promising research direction for building power-efficient information processing systems, especially for temporal tasks such as speech recognition. In SNNs, delays refer to the time needed for one spike to travel from one neuron to another. These delays matter because they influence the spike arrival times, and it is well-known that spiking neurons respond more strongly to coincident input spikes. More formally, it has been shown theoretically that plastic delays greatly increase the expressivity in SNNs. Yet, efficient algorithms to learn these delays have been lacking. Here, we propose a new discrete-time algorithm that addresses this issue in deep feedforward SNNs using backpropagation, in an offline manner. To simulate delays between consecutive layers, we use 1D convolutions across time. The kernels contain only a few non-zero weights - one per synapse - whose positions correspond to the delays. These positions are learned together with the weights using the recently proposed Dilated Convolution with Learnable Spacings (DCLS). We evaluated our method on the Spiking Heidelberg Dataset (SHD) and the Spiking Speech Commands (SSC) benchmarks, which require detecting temporal patterns. We used feedforward SNNs with two hidden fully connected layers. We showed that fixed random delays help, and that learning them helps even more. Furthermore, our method outperformed the state-of-the-art in both SHD and SSC without using recurrent connections and with substantially fewer parameters. Our work demonstrates the potential of delay learning in developing accurate and precise models for temporal data processing. Our code is based on PyTorch / SpikingJelly and available at: //github.com/Thvnvtos/SNN-delays

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Dynamic neural network is an emerging research topic in deep learning. Compared to static models which have fixed computational graphs and parameters at the inference stage, dynamic networks can adapt their structures or parameters to different inputs, leading to notable advantages in terms of accuracy, computational efficiency, adaptiveness, etc. In this survey, we comprehensively review this rapidly developing area by dividing dynamic networks into three main categories: 1) instance-wise dynamic models that process each instance with data-dependent architectures or parameters; 2) spatial-wise dynamic networks that conduct adaptive computation with respect to different spatial locations of image data and 3) temporal-wise dynamic models that perform adaptive inference along the temporal dimension for sequential data such as videos and texts. The important research problems of dynamic networks, e.g., architecture design, decision making scheme, optimization technique and applications, are reviewed systematically. Finally, we discuss the open problems in this field together with interesting future research directions.

Catastrophic forgetting refers to the tendency that a neural network "forgets" the previous learned knowledge upon learning new tasks. Prior methods have been focused on overcoming this problem on convolutional neural networks (CNNs), where the input samples like images lie in a grid domain, but have largely overlooked graph neural networks (GNNs) that handle non-grid data. In this paper, we propose a novel scheme dedicated to overcoming catastrophic forgetting problem and hence strengthen continual learning in GNNs. At the heart of our approach is a generic module, termed as topology-aware weight preserving~(TWP), applicable to arbitrary form of GNNs in a plug-and-play fashion. Unlike the main stream of CNN-based continual learning methods that rely on solely slowing down the updates of parameters important to the downstream task, TWP explicitly explores the local structures of the input graph, and attempts to stabilize the parameters playing pivotal roles in the topological aggregation. We evaluate TWP on different GNN backbones over several datasets, and demonstrate that it yields performances superior to the state of the art. Code is publicly available at \url{//github.com/hhliu79/TWP}.

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize from few samples, GNN usually suffers from severe over-fitting and over-smoothing as the model becomes deep, which limit the model scalability. In this work, we propose a novel Attentive GNN to tackle these challenges, by incorporating a triple-attention mechanism, \ie node self-attention, neighborhood attention, and layer memory attention. We explain why the proposed attentive modules can improve GNN for few-shot learning with theoretical analysis and illustrations. Extensive experiments show that the proposed Attentive GNN outperforms the state-of-the-art GNN-based methods for few-shot learning over the mini-ImageNet and Tiered-ImageNet datasets, with both inductive and transductive settings.

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges, because subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SUB-GNN, a subgraph neural network to learn disentangled subgraph representations. In particular, we propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SUB-GNN specifies three channels, each designed to capture a distinct aspect of subgraph structure, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SUB-GNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 12.4% over the strongest baseline. SUB-GNN performs exceptionally well on challenging biomedical datasets when subgraphs have complex topology and even comprise multiple disconnected components.

Knowledge graph (KG) embedding encodes the entities and relations from a KG into low-dimensional vector spaces to support various applications such as KG completion, question answering, and recommender systems. In real world, knowledge graphs (KGs) are dynamic and evolve over time with addition or deletion of triples. However, most existing models focus on embedding static KGs while neglecting dynamics. To adapt to the changes in a KG, these models need to be re-trained on the whole KG with a high time cost. In this paper, to tackle the aforementioned problem, we propose a new context-aware Dynamic Knowledge Graph Embedding (DKGE) method which supports the embedding learning in an online fashion. DKGE introduces two different representations (i.e., knowledge embedding and contextual element embedding) for each entity and each relation, in the joint modeling of entities and relations as well as their contexts, by employing two attentive graph convolutional networks, a gate strategy, and translation operations. This effectively helps limit the impacts of a KG update in certain regions, not in the entire graph, so that DKGE can rapidly acquire the updated KG embedding by a proposed online learning algorithm. Furthermore, DKGE can also learn KG embedding from scratch. Experiments on the tasks of link prediction and question answering in a dynamic environment demonstrate the effectiveness and efficiency of DKGE.

Learning latent representations of nodes in graphs is an important and ubiquitous task with widespread applications such as link prediction, node classification, and graph visualization. Previous methods on graph representation learning mainly focus on static graphs, however, many real-world graphs are dynamic and evolve over time. In this paper, we present Dynamic Self-Attention Network (DySAT), a novel neural architecture that operates on dynamic graphs and learns node representations that capture both structural properties and temporal evolutionary patterns. Specifically, DySAT computes node representations by jointly employing self-attention layers along two dimensions: structural neighborhood and temporal dynamics. We conduct link prediction experiments on two classes of graphs: communication networks and bipartite rating networks. Our experimental results show that DySAT has a significant performance gain over several different state-of-the-art graph embedding baselines.

Graphs, which describe pairwise relations between objects, are essential representations of many real-world data such as social networks. In recent years, graph neural networks, which extend the neural network models to graph data, have attracted increasing attention. Graph neural networks have been applied to advance many different graph related tasks such as reasoning dynamics of the physical system, graph classification, and node classification. Most of the existing graph neural network models have been designed for static graphs, while many real-world graphs are inherently dynamic. For example, social networks are naturally evolving as new users joining and new relations being created. Current graph neural network models cannot utilize the dynamic information in dynamic graphs. However, the dynamic information has been proven to enhance the performance of many graph analytical tasks such as community detection and link prediction. Hence, it is necessary to design dedicated graph neural networks for dynamic graphs. In this paper, we propose DGNN, a new {\bf D}ynamic {\bf G}raph {\bf N}eural {\bf N}etwork model, which can model the dynamic information as the graph evolving. In particular, the proposed framework can keep updating node information by capturing the sequential information of edges, the time intervals between edges and information propagation coherently. Experimental results on various dynamic graphs demonstrate the effectiveness of the proposed framework.