Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art graph learning model. However, it can be notoriously challenging to inference GCNs over large graph datasets, limiting their application to large real-world graphs and hindering the exploration of deeper and more sophisticated GCN graphs. This is because real-world graphs can be extremely large and sparse. Furthermore, the node degree of GCNs tends to follow the power-law distribution and therefore have highly irregular adjacency matrices, resulting in prohibitive inefficiencies in both data processing and movement and thus substantially limiting the achievable GCN acceleration efficiency. To this end, this paper proposes a GCN algorithm and accelerator Co-Design framework dubbed GCoD which can largely alleviate the aforementioned GCN irregularity and boost GCNs' inference efficiency. Specifically, on the algorithm level, GCoD integrates a split and conquer GCN training strategy that polarizes the graphs to be either denser or sparser in local neighborhoods without compromising the model accuracy, resulting in graph adjacency matrices that (mostly) have merely two levels of workload and enjoys largely enhanced regularity and thus ease of acceleration. On the hardware level, we further develop a dedicated two-pronged accelerator with a separated engine to process each of the aforementioned denser and sparser workloads, further boosting the overall utilization and acceleration efficiency. Extensive experiments and ablation studies validate that our GCoD consistently reduces the number of off-chip accesses, leading to speedups of 15286x, 294x, 7.8x, and 2.5x as compared to CPUs, GPUs, and prior-art GCN accelerators including HyGCN and AWB-GCN, respectively, while maintaining or even improving the task accuracy. Codes are available at https://github.com/RICE-EIC/GCoD.
Bi-type multi-relational heterogeneous graph (BMHG) is one of the most common graphs in practice, for example, academic networks, e-commerce user behavior graph and enterprise knowledge graph. It is a critical and challenge problem on how to learn the numerical representation for each node to characterize subtle structures. However, most previous studies treat all node relations in BMHG as the same class of relation without distinguishing the different characteristics between the intra-class relations and inter-class relations of the bi-typed nodes, causing the loss of significant structure information. To address this issue, we propose a novel Dual Hierarchical Attention Networks (DHAN) based on the bi-typed multi-relational heterogeneous graphs to learn comprehensive node representations with the intra-class and inter-class attention-based encoder under a hierarchical mechanism. Specifically, the former encoder aggregates information from the same type of nodes, while the latter aggregates node representations from its different types of neighbors. Moreover, to sufficiently model node multi-relational information in BMHG, we adopt a newly proposed hierarchical mechanism. By doing so, the proposed dual hierarchical attention operations enable our model to fully capture the complex structures of the bi-typed multi-relational heterogeneous graphs. Experimental results on various tasks against the state-of-the-arts sufficiently confirm the capability of DHAN in learning node representations on the BMHGs.
Inspired by the extensive success of deep learning, graph neural networks (GNNs) have been proposed to learn expressive node representations and demonstrated promising performance in various graph learning tasks. However, existing endeavors predominately focus on the conventional semi-supervised setting where relatively abundant gold-labeled nodes are provided. While it is often impractical due to the fact that data labeling is unbearably laborious and requires intensive domain knowledge, especially when considering the heterogeneity of graph-structured data. Under the few-shot semi-supervised setting, the performance of most of the existing GNNs is inevitably undermined by the overfitting and oversmoothing issues, largely owing to the shortage of labeled data. In this paper, we propose a decoupled network architecture equipped with a novel meta-learning algorithm to solve this problem. In essence, our framework Meta-PN infers high-quality pseudo labels on unlabeled nodes via a meta-learned label propagation strategy, which effectively augments the scarce labeled data while enabling large receptive fields during training. Extensive experiments demonstrate that our approach offers easy and substantial performance gains compared to existing techniques on various benchmark datasets.
Lifelong graph learning deals with the problem of continually adapting graph neural network (GNN) models to changes in evolving graphs. We address two critical challenges of lifelong graph learning in this work: dealing with new classes and tackling imbalanced class distributions. The combination of these two challenges is particularly relevant since newly emerging classes typically resemble only a tiny fraction of the data, adding to the already skewed class distribution. We make several contributions: First, we show that the amount of unlabeled data does not influence the results, which is an essential prerequisite for lifelong learning on a sequence of tasks. Second, we experiment with different label rates and show that our methods can perform well with only a tiny fraction of annotated nodes. Third, we propose the gDOC method to detect new classes under the constraint of having an imbalanced class distribution. The critical ingredient is a weighted binary cross-entropy loss function to account for the class imbalance. Moreover, we demonstrate combinations of gDOC with various base GNN models such as GraphSAGE, Simplified Graph Convolution, and Graph Attention Networks. Lastly, our k-neighborhood time difference measure provably normalizes the temporal changes across different graph datasets. With extensive experimentation, we find that the proposed gDOC method is consistently better than a naive adaption of DOC to graphs. Specifically, in experiments using the smallest history size, the out-of-distribution detection score of gDOC is 0.09 compared to 0.01 for DOC. Furthermore, gDOC achieves an Open-F1 score, a combined measure of in-distribution classification and out-of-distribution detection, of 0.33 compared to 0.25 of DOC (32% increase).
Graph Convolutional Neural Networks (GCNs) are widely used for graph analysis. Specifically, in medical applications, GCNs can be used for disease prediction on a population graph, where graph nodes represent individuals and edges represent individual similarities. However, GCNs rely on a vast amount of data, which is challenging to collect for a single medical institution. In addition, a critical challenge that most medical institutions continue to face is addressing disease prediction in isolation with incomplete data information. To address these issues, Federated Learning (FL) allows isolated local institutions to collaboratively train a global model without data sharing. In this work, we propose a framework, FedNI, to leverage network inpainting and inter-institutional data via FL. Specifically, we first federatively train missing node and edge predictor using a graph generative adversarial network (GAN) to complete the missing information of local networks. Then we train a global GCN node classifier across institutions using a federated graph learning platform. The novel design enables us to build more accurate machine learning models by leveraging federated learning and also graph learning approaches. We demonstrate that our federated model outperforms local and baseline FL methods with significant margins on two public neuroimaging datasets.
A cyber-attack is a malicious attempt by experienced hackers to breach the target information system. Usually, the cyber-attacks are characterized as hybrid TTPs (Tactics, Techniques, and Procedures) and long-term adversarial behaviors, making the traditional intrusion detection methods ineffective. Most existing cyber-attack detection systems are implemented based on manually designed rules by referring to domain knowledge (e.g., threat models, threat intelligences). However, this process is lack of intelligence and generalization ability. Aiming at this limitation, this paper proposes an intelligent cyber-attack detection method based on provenance data. To effective and efficient detect cyber-attacks from a huge number of system events in the provenance data, we firstly model the provenance data by a heterogeneous graph to capture the rich context information of each system entities (e.g., process, file, socket, etc.), and learns a semantic vector representation for each system entity. Then, we perform online cyber-attack detection by sampling a small and compact local graph from the heterogeneous graph, and classifying the key system entities as malicious or benign. We conducted a series of experiments on two provenance datasets with real cyber-attacks. The experiment results show that the proposed method outperforms other learning based detection models, and has competitive performance against state-of-the-art rule based cyber-attack detection systems.
Multivariate time series (MTS) forecasting has attracted much attention in many intelligent applications. It is not a trivial task, as we need to consider both intra-variable dependencies and inter-variable dependencies. However, existing works are designed for specific scenarios, and require much domain knowledge and expert efforts, which is difficult to transfer between different scenarios. In this paper, we propose a scale-aware neural architecture search framework for MTS forecasting (SNAS4MTF). A multi-scale decomposition module transforms raw time series into multi-scale sub-series, which can preserve multi-scale temporal patterns. An adaptive graph learning module infers the different inter-variable dependencies under different time scales without any prior knowledge. For MTS forecasting, a search space is designed to capture both intra-variable dependencies and inter-variable dependencies at each time scale. The multi-scale decomposition, adaptive graph learning, and neural architecture search modules are jointly learned in an end-to-end framework. Extensive experiments on two real-world datasets demonstrate that SNAS4MTF achieves a promising performance compared with the state-of-the-art methods.
Graph learning is often a necessary step in processing or representing structured data, when the underlying graph is not given explicitly. Graph learning is generally performed centrally with a full knowledge of the graph signals, namely the data that lives on the graph nodes. However, there are settings where data cannot be collected easily or only with a non-negligible communication cost. In such cases, distributed processing appears as a natural solution, where the data stays mostly local and all processing is performed among neighbours nodes on the communication graph. We propose here a novel distributed graph learning algorithm, which permits to infer a graph from signal observations on the nodes under the assumption that the data is smooth on the target graph. We solve a distributed optimization problem with local projection constraints to infer a valid graph while limiting the communication costs. Our results show that the distributed approach has a lower communication cost than a centralised algorithm without compromising the accuracy in the inferred graph. It also scales better in communication costs with the increase of the network size, especially for sparse networks.
Simplicial neural networks (SNN) have recently emerged as the newest direction in graph learning which expands the idea of convolutional architectures from node space to simplicial complexes on graphs. Instead of pre-dominantly assessing pairwise relations among nodes as in the current practice, simplicial complexes allow us to describe higher-order interactions and multi-node graph structures. By building upon connection between the convolution operation and the new block Hodge-Laplacian, we propose the first SNN for link prediction. Our new Block Simplicial Complex Neural Networks (BScNets) model generalizes the existing graph convolutional network (GCN) frameworks by systematically incorporating salient interactions among multiple higher-order graph structures of different dimensions. We discuss theoretical foundations behind BScNets and illustrate its utility for link prediction on eight real-world and synthetic datasets. Our experiments indicate that BScNets outperforms the state-of-the-art models by a significant margin while maintaining low computation costs. Finally, we show utility of BScNets as the new promising alternative for tracking spread of infectious diseases such as COVID-19 and measuring the effectiveness of the healthcare risk mitigation strategies.
Graph-based fraud detection approaches have escalated lots of attention recently due to the abundant relational information of graph-structured data, which may be beneficial for the detection of fraudsters. However, the GNN-based algorithms could fare poorly when the label distribution of nodes is heavily skewed, and it is common in sensitive areas such as financial fraud, etc. To remedy the class imbalance problem of graph-based fraud detection, we propose a Pick and Choose Graph Neural Network (PC-GNN for short) for imbalanced supervised learning on graphs. First, nodes and edges are picked with a devised label-balanced sampler to construct sub-graphs for mini-batch training. Next, for each node in the sub-graph, the neighbor candidates are chosen by a proposed neighborhood sampler. Finally, information from the selected neighbors and different relations are aggregated to obtain the final representation of a target node. Experiments on both benchmark and real-world graph-based fraud detection tasks demonstrate that PCGNN apparently outperforms state-of-the-art baselines.
Video self-supervised learning is a challenging task, which requires significant expressive power from the model to leverage rich spatial-temporal knowledge and generate effective supervisory signals from large amounts of unlabeled videos. However, existing methods fail to increase the temporal diversity of unlabeled videos and ignore elaborately modeling multi-scale temporal dependencies in an explicit way. To overcome these limitations, we take advantage of the multi-scale temporal dependencies within videos and proposes a novel video self-supervised learning framework named Temporal Contrastive Graph Learning (TCGL), which jointly models the inter-snippet and intra-snippet temporal dependencies for temporal representation learning with a hybrid graph contrastive learning strategy. Specifically, a Spatial-Temporal Knowledge Discovering (STKD) module is first introduced to extract motion-enhanced spatial-temporal representations from videos based on the frequency domain analysis of discrete cosine transform. To explicitly model multi-scale temporal dependencies of unlabeled videos, our TCGL integrates the prior knowledge about the frame and snippet orders into graph structures, i.e., the intra-/inter- snippet Temporal Contrastive Graphs (TCG). Then, specific contrastive learning modules are designed to maximize the agreement between nodes in different graph views. To generate supervisory signals for unlabeled videos, we introduce an Adaptive Snippet Order Prediction (ASOP) module which leverages the relational knowledge among video snippets to learn the global context representation and recalibrate the channel-wise features adaptively. Experimental results demonstrate the superiority of our TCGL over the state-of-the-art methods on large-scale action recognition and video retrieval benchmarks.The code is publicly available at https://github.com/YangLiu9208/TCGL.
Multivariate time series forecasting is a challenging task because the data involves a mixture of long- and short-term patterns, with dynamic spatio-temporal dependencies among variables. Existing graph neural networks (GNN) typically model multivariate relationships with a pre-defined spatial graph or learned fixed adjacency graph. It limits the application of GNN and fails to handle the above challenges. In this paper, we propose a novel framework, namely static- and dynamic-graph learning-neural network (SDGL). The model acquires static and dynamic graph matrices from data to model long- and short-term patterns respectively. Static matric is developed to capture the fixed long-term association pattern via node embeddings, and we leverage graph regularity for controlling the quality of the learned static graph. To capture dynamic dependencies among variables, we propose dynamic graphs learning method to generate time-varying matrices based on changing node features and static node embeddings. And in the method, we integrate the learned static graph information as inductive bias to construct dynamic graphs and local spatio-temporal patterns better. Extensive experiments are conducted on two traffic datasets with extra structural information and four time series datasets, which show that our approach achieves state-of-the-art performance on almost all datasets. If the paper is accepted, I will open the source code on github.
As an important branch in Recommender System, occasional group recommendation has received more and more attention. In this scenario, each occasional group (cold-start group) has no or few historical interacted items. As each occasional group has extremely sparse interactions with items, traditional group recommendation methods can not learn high-quality group representations. The recent proposed Graph Neural Networks (GNNs), which incorporate the high-order neighbors of the target occasional group, can alleviate the above problem in some extent. However, these GNNs still can not explicitly strengthen the embedding quality of the high-order neighbors with few interactions. Motivated by the Self-supervised Learning technique, which is able to find the correlations within the data itself, we propose a self-supervised graph learning framework, which takes the user/item/group embedding reconstruction as the pretext task to enhance the embeddings of the cold-start users/items/groups. In order to explicitly enhance the high-order cold-start neighbors' embedding quality, we further introduce an embedding enhancer, which leverages the self-attention mechanism to improve the embedding quality for them. Comprehensive experiments show the advantages of our proposed framework than the state-of-the-art methods.
Graph Neural Networks (GNNs) have achieved great success in processing graph data by extracting and propagating structure-aware features. Existing GNN research designs various propagation schemes to guide the aggregation of neighbor information. Recently the field has advanced from local propagation schemes that focus on local neighbors towards extended propagation schemes that can directly deal with extended neighbors consisting of both local and high-order neighbors. Despite the impressive performance, existing approaches are still insufficient to build an efficient and learnable extended propagation scheme that can adaptively adjust the influence of local and high-order neighbors. This paper proposes an efficient yet effective end-to-end framework, namely Contrastive Adaptive Propagation Graph Neural Networks (CAPGNN), to address these issues by combining Personalized PageRank and attention techniques. CAPGNN models the learnable extended propagation scheme with a polynomial of a sparse local affinity matrix, where the polynomial relies on Personalized PageRank to provide superior initial coefficients. In order to adaptively adjust the influence of both local and high-order neighbors, a coefficient-attention model is introduced to learn to adjust the coefficients of the polynomial. In addition, we leverage self-supervised learning techniques and design a negative-free entropy-aware contrastive loss to explicitly take advantage of unlabeled data for training. We implement CAPGNN as two different versions named CAPGCN and CAPGAT, which use static and dynamic sparse local affinity matrices, respectively. Experiments on graph benchmark datasets suggest that CAPGNN can consistently outperform or match state-of-the-art baselines. The source code is publicly available at https://github.com/hujunxianligong/CAPGNN.
Grounded video description (GVD) encourages captioning models to attend to appropriate video regions (e.g., objects) dynamically and generate a description. Such a setting can help explain the decisions of captioning models and prevents the model from hallucinating object words in its description. However, such design mainly focuses on object word generation and thus may ignore fine-grained information and suffer from missing visual concepts. Moreover, relational words (e.g., "jump left or right") are usual spatio-temporal inference results, i.e., these words cannot be grounded on certain spatial regions. To tackle the above limitations, we design a novel relational graph learning framework for GVD, in which a language-refined scene graph representation is designed to explore fine-grained visual concepts. Furthermore, the refined graph can be regarded as relational inductive knowledge to assist captioning models in selecting the relevant information it needs to generate correct words. We validate the effectiveness of our model through automatic metrics and human evaluation, and the results indicate that our approach can generate more fine-grained and accurate description, and it solves the problem of object hallucination to some extent.
Transformers have achieved great success in several domains, including Natural Language Processing and Computer Vision. However, its application to real-world graphs is less explored, mainly due to its high computation cost and its poor generalizability caused by the lack of enough training data in the graph domain. To fill in this gap, we propose a scalable Transformer-like dynamic graph learning method named Dynamic Graph Transformer (DyFormer) with spatial-temporal encoding to effectively learn graph topology and capture implicit links. To achieve efficient and scalable training, we propose temporal-union graph structure and its associated subgraph-based node sampling strategy. To improve the generalization ability, we introduce two complementary self-supervised pre-training tasks and show that jointly optimizing the two pre-training tasks results in a smaller Bayesian error rate via an information-theoretic analysis. Extensive experiments on the real-world datasets illustrate that DyFormer achieves a consistent 1%-3% AUC gain (averaged over all time steps) compared with baselines on all benchmarks.
Iterative solvers are widely used to accurately simulate physical systems. These solvers require initial guesses to generate a sequence of improving approximate solutions. In this contribution, we introduce a novel method to accelerate iterative solvers for rod dynamics with graph networks (GNs) by predicting the initial guesses to reduce the number of iterations. Unlike existing methods that aim to learn physical systems in an end-to-end manner, our approach guarantees long-term stability and therefore leads to more accurate solutions. Furthermore, our method improves the run time performance of traditional iterative solvers for rod dynamics. To explore our method we make use of position-based dynamics (PBD) as a common solver for physical systems and evaluate it by simulating the dynamics of elastic rods. Our approach is able to generalize across different initial conditions, discretizations, and realistic material properties. We demonstrate that it also performs well when taking discontinuous effects into account such as collisions between individual rods. Finally, to illustrate the scalability of our approach, we simulate complex 3D tree models composed of over a thousand individual branch segments swaying in wind fields.
Understanding the halo-galaxy connection is fundamental in order to improve our knowledge on the nature and properties of dark matter. In this work we build a model that infers the mass of a halo given the positions, velocities, stellar masses, and radii of the galaxies it hosts. In order to capture information from correlations among galaxy properties and their phase-space, we use Graph Neural Networks (GNNs), that are designed to work with irregular and sparse data. We train our models on galaxies from more than 2,000 state-of-the-art simulations from the Cosmology and Astrophysics with MachinE Learning Simulations (CAMELS) project. Our model, that accounts for cosmological and astrophysical uncertainties, is able to constrain the masses of the halos with a $\sim$0.2 dex accuracy. Furthermore, a GNN trained on a suite of simulations is able to preserve part of its accuracy when tested on simulations run with a different code that utilizes a distinct subgrid physics model, showing the robustness of our method. The PyTorch Geometric implementation of the GNN is publicly available on Github at https://github.com/PabloVD/HaloGraphNet
We consider the problem of learning a sparse undirected graph underlying a given set of multivariate data. We focus on graph Laplacian-related constraints on the sparse precision matrix that encodes conditional dependence between the random variables associated with the graph nodes. Under these constraints the off-diagonal elements of the precision matrix are non-positive (total positivity), and the precision matrix may not be full-rank. We investigate modifications to widely used penalized log-likelihood approaches to enforce total positivity but not the Laplacian structure. The graph Laplacian can then be extracted from the off-diagonal precision matrix. An alternating direction method of multipliers (ADMM) algorithm is presented and analyzed for constrained optimization under Laplacian-related constraints and lasso as well as adaptive lasso penalties. Numerical results based on synthetic data show that the proposed constrained adaptive lasso approach significantly outperforms existing Laplacian-based approaches. We also evaluate our approach on real financial data.
Many real-world relational systems, such as social networks and biological systems, contain dynamic interactions. When learning dynamic graph representation, it is essential to employ sequential temporal information and geometric structure. Mainstream work achieves topological embedding via message passing networks (e.g., GCN, GAT). The temporal evolution, on the other hand, is conventionally expressed via memory units (e.g., LSTM or GRU) that possess convenient information filtration in a gate mechanism. Though, such a design prevents large-scale input sequence due to the over-complicated encoding. This work learns from the philosophy of self-attention and proposes an efficient spectral-based neural unit that employs informative long-range temporal interaction. The developed spectral window unit (SWINIT) model predicts scalable dynamic graphs with assured efficiency. The architecture is assembled with a few simple effective computational blocks that constitute randomized SVD, MLP, and graph Framelet convolution. The SVD plus MLP module encodes the long-short-term feature evolution of the dynamic graph events. A fast framelet graph transform in the framelet convolution embeds the structural dynamics. Both strategies enhance the model's ability on scalable analysis. In particular, the iterative SVD approximation shrinks the computational complexity of attention to O(Nd\log(d)) for the dynamic graph with N edges and d edge features, and the multiscale transform of framelet convolution allows sufficient scalability in the network training. Our SWINIT achieves state-of-the-art performance on a variety of online continuous-time dynamic graph learning tasks, while compared to baseline methods, the number of its learnable parameters reduces by up to seven times.