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The study of partial differential equations (PDE) through the framework of deep learning emerged a few years ago leading to the impressive approximations of simple dynamics. Graph neural networks (GNN) turned out to be very useful in those tasks by allowing the treatment of unstructured data often encountered in the field of numerical resolutions of PDE. However, the resolutions of harder PDE such as Navier-Stokes equations are still a challenging task and most of the work done on the latter concentrate either on simulating the flow around simple geometries or on qualitative results that looks physical for design purpose. In this study, we try to leverage the work done on deep learning for PDE and GNN by proposing an adaptation of a known architecture in order to tackle the task of approximating the solution of the two-dimensional steady-state incompressible Navier-Stokes equations over different airfoil geometries. In addition to that, we test our model not only on its performance over the volume but also on its performance to approximate surface quantities such as the wall shear stress or the isostatic pressure leading to the inference of global coefficients such as the lift and the drag of our airfoil in order to allow design exploration. This work takes place in a longer project that aims to approximate three dimensional steady-state solutions over industrial geometries.

Sequential recommendation aims to leverage users' historical behaviors to predict their next interaction. Existing works have not yet addressed two main challenges in sequential recommendation. First, user behaviors in their rich historical sequences are often implicit and noisy preference signals, they cannot sufficiently reflect users' actual preferences. In addition, users' dynamic preferences often change rapidly over time, and hence it is difficult to capture user patterns in their historical sequences. In this work, we propose a graph neural network model called SURGE (short for SeqUential Recommendation with Graph neural nEtworks) to address these two issues. Specifically, SURGE integrates different types of preferences in long-term user behaviors into clusters in the graph by re-constructing loose item sequences into tight item-item interest graphs based on metric learning. This helps explicitly distinguish users' core interests, by forming dense clusters in the interest graph. Then, we perform cluster-aware and query-aware graph convolutional propagation and graph pooling on the constructed graph. It dynamically fuses and extracts users' current activated core interests from noisy user behavior sequences. We conduct extensive experiments on both public and proprietary industrial datasets. Experimental results demonstrate significant performance gains of our proposed method compared to state-of-the-art methods. Further studies on sequence length confirm that our method can model long behavioral sequences effectively and efficiently.

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.

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.

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them infeasible to represent heterogeneous structures. In this paper, we present the Heterogeneous Graph Transformer (HGT) architecture for modeling Web-scale heterogeneous graphs. To model heterogeneity, we design node- and edge-type dependent parameters to characterize the heterogeneous attention over each edge, empowering HGT to maintain dedicated representations for different types of nodes and edges. To handle dynamic heterogeneous graphs, we introduce the relative temporal encoding technique into HGT, which is able to capture the dynamic structural dependency with arbitrary durations. To handle Web-scale graph data, we design the heterogeneous mini-batch graph sampling algorithm---HGSampling---for efficient and scalable training. Extensive experiments on the Open Academic Graph of 179 million nodes and 2 billion edges show that the proposed HGT model consistently outperforms all the state-of-the-art GNN baselines by 9%--21% on various downstream tasks.

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.

Due to their inherent capability in semantic alignment of aspects and their context words, attention mechanism and Convolutional Neural Networks (CNNs) are widely applied for aspect-based sentiment classification. However, these models lack a mechanism to account for relevant syntactical constraints and long-range word dependencies, and hence may mistakenly recognize syntactically irrelevant contextual words as clues for judging aspect sentiment. To tackle this problem, we propose to build a Graph Convolutional Network (GCN) over the dependency tree of a sentence to exploit syntactical information and word dependencies. Based on it, a novel aspect-specific sentiment classification framework is raised. Experiments on three benchmarking collections illustrate that our proposed model has comparable effectiveness to a range of state-of-the-art models, and further demonstrate that both syntactical information and long-range word dependencies are properly captured by the graph convolution structure.

Aspect level sentiment classification aims to identify the sentiment expressed towards an aspect given a context sentence. Previous neural network based methods largely ignore the syntax structure in one sentence. In this paper, we propose a novel target-dependent graph attention network (TD-GAT) for aspect level sentiment classification, which explicitly utilizes the dependency relationship among words. Using the dependency graph, it propagates sentiment features directly from the syntactic context of an aspect target. In our experiments, we show our method outperforms multiple baselines with GloVe embeddings. We also demonstrate that using BERT representations further substantially boosts the performance.

In recent years, Graph Neural Networks (GNNs), which can naturally integrate node information and topological structure, have been demonstrated to be powerful in learning on graph data. These advantages of GNNs provide great potential to advance social recommendation since data in social recommender systems can be represented as user-user social graph and user-item graph; and learning latent factors of users and items is the key. However, building social recommender systems based on GNNs faces challenges. For example, the user-item graph encodes both interactions and their associated opinions; social relations have heterogeneous strengths; users involve in two graphs (e.g., the user-user social graph and the user-item graph). To address the three aforementioned challenges simultaneously, in this paper, we present a novel graph neural network framework (GraphRec) for social recommendations. In particular, we provide a principled approach to jointly capture interactions and opinions in the user-item graph and propose the framework GraphRec, which coherently models two graphs and heterogeneous strengths. Extensive experiments on two real-world datasets demonstrate the effectiveness of the proposed framework GraphRec.

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into different categories. With a focus on graph convolutional networks, we review alternative architectures that have recently been developed; these learning paradigms include graph attention networks, graph autoencoders, graph generative networks, and graph spatial-temporal networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes and benchmarks of the existing algorithms on different learning tasks. Finally, we propose potential research directions in this fast-growing field.