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Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.

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Path-based relational reasoning over knowledge graphs has become increasingly popular due to a variety of downstream applications such as question answering in dialogue systems, fact prediction, and recommender systems. In recent years, reinforcement learning (RL) has provided solutions that are more interpretable and explainable than other deep learning models. However, these solutions still face several challenges, including large action space for the RL agent and accurate representation of entity neighborhood structure. We address these problems by introducing a type-enhanced RL agent that uses the local neighborhood information for efficient path-based reasoning over knowledge graphs. Our solution uses graph neural network (GNN) for encoding the neighborhood information and utilizes entity types to prune the action space. Experiments on real-world dataset show that our method outperforms state-of-the-art RL methods and discovers more novel paths during the training procedure.

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.

In order to facilitate the accesses of general users to knowledge graphs, an increasing effort is being exerted to construct graph-structured queries of given natural language questions. At the core of the construction is to deduce the structure of the target query and determine the vertices/edges which constitute the query. Existing query construction methods rely on question understanding and conventional graph-based algorithms which lead to inefficient and degraded performances facing complex natural language questions over knowledge graphs with large scales. In this paper, we focus on this problem and propose a novel framework standing on recent knowledge graph embedding techniques. Our framework first encodes the underlying knowledge graph into a low-dimensional embedding space by leveraging generalized local knowledge graphs. Given a natural language question, the learned embedding representations of the knowledge graph are utilized to compute the query structure and assemble vertices/edges into the target query. Extensive experiments were conducted on the benchmark dataset, and the results demonstrate that our framework outperforms state-of-the-art baseline models regarding effectiveness and efficiency.

This paper focuses on the discrimination capacity of aggregation functions: these are the permutation invariant functions used by graph neural networks to combine the features of nodes. Realizing that the most powerful aggregation functions suffer from a dimensionality curse, we consider a restricted setting. In particular, we show that the standard sum and a novel histogram-based function have the capacity to discriminate between any fixed number of inputs chosen by an adversary. Based on our insights, we design a graph neural network aiming, not to maximize discrimination capacity, but to learn discriminative graph representations that generalize well. Our empirical evaluation provides evidence that our choices can yield benefits to the problem of structural graph classification.

Learning a faithful directed acyclic graph (DAG) from samples of a joint distribution is a challenging combinatorial problem, owing to the intractable search space superexponential in the number of graph nodes. A recent breakthrough formulates the problem as a continuous optimization with a structural constraint that ensures acyclicity (Zheng et al., 2018). The authors apply the approach to the linear structural equation model (SEM) and the least-squares loss function that are statistically well justified but nevertheless limited. Motivated by the widespread success of deep learning that is capable of capturing complex nonlinear mappings, in this work we propose a deep generative model and apply a variant of the structural constraint to learn the DAG. At the heart of the generative model is a variational autoencoder parameterized by a novel graph neural network architecture, which we coin DAG-GNN. In addition to the richer capacity, an advantage of the proposed model is that it naturally handles discrete variables as well as vector-valued ones. We demonstrate that on synthetic data sets, the proposed method learns more accurate graphs for nonlinearly generated samples; and on benchmark data sets with discrete variables, the learned graphs are reasonably close to the global optima. The code is available at \url{//github.com/fishmoon1234/DAG-GNN}.

Collaborative filtering often suffers from sparsity and cold start problems in real recommendation scenarios, therefore, researchers and engineers usually use side information to address the issues and improve the performance of recommender systems. In this paper, we consider knowledge graphs as the source of side information. We propose MKR, a Multi-task feature learning approach for Knowledge graph enhanced Recommendation. MKR is a deep end-to-end framework that utilizes knowledge graph embedding task to assist recommendation task. The two tasks are associated by cross&compress units, which automatically share latent features and learn high-order interactions between items in recommender systems and entities in the knowledge graph. We prove that cross&compress units have sufficient capability of polynomial approximation, and show that MKR is a generalized framework over several representative methods of recommender systems and multi-task learning. Through extensive experiments on real-world datasets, we demonstrate that MKR achieves substantial gains in movie, book, music, and news recommendation, over state-of-the-art baselines. MKR is also shown to be able to maintain a decent performance even if user-item interactions are sparse.

In structure learning, the output is generally a structure that is used as supervision information to achieve good performance. Considering the interpretation of deep learning models has raised extended attention these years, it will be beneficial if we can learn an interpretable structure from deep learning models. In this paper, we focus on Recurrent Neural Networks (RNNs) whose inner mechanism is still not clearly understood. We find that Finite State Automaton (FSA) that processes sequential data has more interpretable inner mechanism and can be learned from RNNs as the interpretable structure. We propose two methods to learn FSA from RNN based on two different clustering methods. We first give the graphical illustration of FSA for human beings to follow, which shows the interpretability. From the FSA's point of view, we then analyze how the performance of RNNs are affected by the number of gates, as well as the semantic meaning behind the transition of numerical hidden states. Our results suggest that RNNs with simple gated structure such as Minimal Gated Unit (MGU) is more desirable and the transitions in FSA leading to specific classification result are associated with corresponding words which are understandable by human beings.

The potential of graph convolutional neural networks for the task of zero-shot learning has been demonstrated recently. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing generalization to new classes when faced with a lack of data. However, knowledge from distant nodes can get diluted when propagating through intermediate nodes, because current approaches to zero-shot learning use graph propagation schemes that perform Laplacian smoothing at each layer. We show that extensive smoothing does not help the task of regressing classifier weights in zero-shot learning. In order to still incorporate information from distant nodes and utilize the graph structure, we propose an Attentive Dense Graph Propagation Module (ADGPM). ADGPM allows us to exploit the hierarchical graph structure of the knowledge graph through additional connections. These connections are added based on a node's relationship to its ancestors and descendants and an attention scheme is further used to weigh their contribution depending on the distance to the node. Finally, we illustrate that finetuning of the feature representation after training the ADGPM leads to considerable improvements. Our method achieves competitive results, outperforming previous zero-shot learning approaches.