We describe SynGraphy, a method for visually summarising the structure of large network datasets that works by drawing smaller graphs generated to have similar structural properties to the input graphs. Visualising complex networks is crucial to understand and make sense of networked data and the relationships it represents. Due to the large size of many networks, visualisation is extremely difficult; the simple method of drawing large networks like those of Facebook or Twitter leads to graphics that convey little or no information. While modern graph layout algorithms can scale computationally to large networks, their output tends to a common "hairball" look, which makes it difficult to even distinguish different graphs from each other. Graph sampling and graph coarsening techniques partially address these limitations but they are only able to preserve a subset of the properties of the original graphs. In this paper we take the problem of visualising large graphs from a novel perspective: we leave the original graph's nodes and edges behind, and instead summarise its properties such as the clustering coefficient and bipartivity by generating a completely new graph whose structural properties match that of the original graph. To verify the utility of this approach as compared to other graph visualisation algorithms, we perform an experimental evaluation in which we repeatedly asked experimental subjects (professionals in graph mining and related areas) to determine which of two given graphs has a given structural property and then assess which visualisation algorithm helped in identifying the correct answer. Our summarisation approach SynGraphy compares favourably to other techniques on a variety of networks.
The success of graph neural networks (GNNs) provokes the question about explainability: ``Which fraction of the input graph is the most determinant of the prediction?'' Particularly, parametric explainers prevail in existing approaches because of their more robust capability to decipher the black-box (i.e., target GNNs). In this paper, based on the observation that graphs typically share some common motif patterns, we propose a novel non-parametric subgraph matching framework, dubbed MatchExplainer, to explore explanatory subgraphs. It couples the target graph with other counterpart instances and identifies the most crucial joint substructure by minimizing the node corresponding-based distance. Moreover, we note that present graph sampling or node-dropping methods usually suffer from the false positive sampling problem. To alleviate this issue, we designed a new augmentation paradigm named MatchDrop. It takes advantage of MatchExplainer to fix the most informative portion of the graph and merely operates graph augmentations on the rest less informative part. Extensive experiments on synthetic and real-world datasets show the effectiveness of our MatchExplainer by outperforming all state-of-the-art parametric baselines with significant margins. Results also demonstrate that MatchDrop is a general scheme to be equipped with GNNs for enhanced performance. The code is available at: https://github.com/smiles724/MatchExplainer.
Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel molecular graphs remain crucial and challenging goals. To accomplish these goals, we propose a novel Conditional Diffusion model based on discrete Graph Structures (CDGS) for molecular graph generation. Specifically, we construct a forward graph diffusion process on both graph structures and inherent features through stochastic differential equations (SDE) and derive discrete graph structures as the condition for reverse generative processes. We present a specialized hybrid graph noise prediction model that extracts the global context and the local node-edge dependency from intermediate graph states. We further utilize ordinary differential equation (ODE) solvers for efficient graph sampling, based on the semi-linear structure of the probability flow ODE. Experiments on diverse datasets validate the effectiveness of our framework. Particularly, the proposed method still generates high-quality molecular graphs in a limited number of steps. Our code is provided in https://github.com/GRAPH-0/CDGS.
In this paper, we consider a sensor placement problem where sensors can move within a network over time. Sensor placement problem aims to select K sensor positions from N candidates where K < N. Most existing methods assume that sensor positions are static, i.e., they do not move, however, many mobile sensors like drones, robots, and vehicles can change their positions over time. Moreover, underlying measurement conditions could also be changed, which are difficult to cover with statically placed sensors. We tackle the problem by allowing the sensors to change their positions in their neighbors on the network. We dynamically determine the sensor positions based on graph signal sampling theory such that the non-observed signals on the network can be best recovered from the observations. For signal recovery, the dictionary is learned from a pool of observed signals. It is also used for the sensor position selection. In experiments, we validate the effectiveness of the proposed method via the mean squared error of the reconstructed signals. The proposed dynamic sensor placement outperforms the existing static ones for both synthetic and real data.
Graph neural networks (GNNs) have received great attention due to their success in various graph-related learning tasks. Several GNN frameworks have then been developed for fast and easy implementation of GNN models. Despite their popularity, they are not well documented, and their implementations and system performance have not been well understood. In particular, unlike the traditional GNNs that are trained based on the entire graph in a full-batch manner, recent GNNs have been developed with different graph sampling techniques for mini-batch training of GNNs on large graphs. While they improve the scalability, their training times still depend on the implementations in the frameworks as sampling and its associated operations can introduce non-negligible overhead and computational cost. In addition, it is unknown how much the frameworks are 'eco-friendly' from a green computing perspective. In this paper, we provide an in-depth study of two mainstream GNN frameworks along with three state-of-the-art GNNs to analyze their performance in terms of runtime and power/energy consumption. We conduct extensive benchmark experiments at several different levels and present detailed analysis results and observations, which could be helpful for further improvement and optimization.
Graph sampling is the problem of choosing a node subset via sampling matrix $\mathbf{H} \in \{0,1\}^{K \times N}$ to collect samples $\mathbf{y} = \mathbf{H} \mathbf{x} \in \mathbb{R}^K$, $K < N$, so that the target signal $\mathbf{x} \in \mathbb{R}^N$ can be reconstructed in high fidelity. While sampling on undirected graphs is well studied, we propose the first sampling scheme tailored specifically for directed graphs, leveraging a previous undirected graph sampling method based on Gershgorin disc alignment (GDAS). Concretely, given a directed positive graph $\mathcal{G}^d$ specified by random-walk graph Laplacian matrix $\mathbf{L}_{rw}$, we first define reconstruction of a smooth signal $\mathbf{x}^*$ from samples $\mathbf{y}$ using graph shift variation (GSV) $\|\mathbf{L}_{rw} \mathbf{x}\|^2_2$ as a signal prior. To minimize worst-case reconstruction error of the linear system solution $\mathbf{x}^* = \mathbf{C}^{-1} \mathbf{H}^\top \mathbf{y}$ with symmetric coefficient matrix $\mathbf{C} = \mathbf{H}^\top \mathbf{H} + \mu \mathbf{L}_{rw}^\top \mathbf{L}_{rw}$, the sampling objective is to choose $\mathbf{H}$ to maximize the smallest eigenvalue $\lambda_{\min}(\mathbf{C})$ of $\mathbf{C}$. To circumvent eigen-decomposition entirely, we maximize instead a lower bound $\lambda^-_{\min}(\mathbf{S}\mathbf{C}\mathbf{S}^{-1})$ of $\lambda_{\min}(\mathbf{C})$ -- smallest Gershgorin disc left-end of a similarity transform of $\mathbf{C}$ -- via a variant of GDAS based on Gershgorin circle theorem (GCT). Experimental results show that our sampling method yields smaller signal reconstruction errors at a faster speed compared to competing schemes.
Node embedding is a central topic in graph representation learning. Computational efficiency and scalability can be challenging to any method that requires full-graph operations. We propose sampling approaches to node embedding, with or without explicit modelling of the feature vector, which aim to extract useful information from both the eigenvectors related to the graph Laplacien and the given values associated with the graph.
We consider the problem of estimating the topology of multiple networks from nodal observations, where these networks are assumed to be drawn from the same (unknown) random graph model. We adopt a graphon as our random graph model, which is a nonparametric model from which graphs of potentially different sizes can be drawn. The versatility of graphons allows us to tackle the joint inference problem even for the cases where the graphs to be recovered contain different number of nodes and lack precise alignment across the graphs. Our solution is based on combining a maximum likelihood penalty with graphon estimation schemes and can be used to augment existing network inference methods. The proposed joint network and graphon estimation is further enhanced with the introduction of a robust method for noisy graph sampling information. We validate our proposed approach by comparing its performance against competing methods in synthetic and real-world datasets.
Given a valued graph, where both the nodes and the edges of the graph are associated with one or several values, any network function for a given node must be defined in terms of that node and its connected nodes in the graph. Generally, applying the same definition to the whole graph or any given subgraph of it would result in systematically different network functions. In this paper we consider the feasibility of graph sampling approach to network function learning, as well as the corresponding learning methods based on the sample graphs. This can be useful either when the edges are unknown to start with or the graph is too large (or dynamic) to be processed entirely.
A basic premise in graph signal processing (GSP) is that a graph encoding pairwise (anti-)correlations of the targeted signal as edge weights is exploited for graph filtering. However, existing fast graph sampling schemes are designed and tested only for positive graphs describing positive correlations. In this paper, we show that for datasets with strong inherent anti-correlations, a suitable graph contains both positive and negative edge weights. In response, we propose a linear-time signed graph sampling method centered on the concept of balanced signed graphs. Specifically, given an empirical covariance data matrix $\bar{\bf{C}}$, we first learn a sparse inverse matrix (graph Laplacian) $\mathcal{L}$ corresponding to a signed graph $\mathcal{G}$. We define the eigenvectors of Laplacian $\mathcal{L}_B$ for a balanced signed graph $\mathcal{G}_B$ -- approximating $\mathcal{G}$ via edge weight augmentation -- as graph frequency components. Next, we choose samples to minimize the low-pass filter reconstruction error in two steps. We first align all Gershgorin disc left-ends of Laplacian $\mathcal{L}_B$ at smallest eigenvalue $\lambda_{\min}(\mathcal{L}_B)$ via similarity transform $\mathcal{L}_p = \S \mathcal{L}_B \S^{-1}$, leveraging a recent linear algebra theorem called Gershgorin disc perfect alignment (GDPA). We then perform sampling on $\mathcal{L}_p$ using a previous fast Gershgorin disc alignment sampling (GDAS) scheme. Experimental results show that our signed graph sampling method outperformed existing fast sampling schemes noticeably on various datasets.
There has been an increased interest in applying machine learning techniques on relational structured-data based on an observed graph. Often, this graph is not fully representative of the true relationship amongst nodes. In these settings, building a generative model conditioned on the observed graph allows to take the graph uncertainty into account. Various existing techniques either rely on restrictive assumptions, fail to preserve topological properties within the samples or are prohibitively expensive for larger graphs. In this work, we introduce the node copying model for constructing a distribution over graphs. Sampling of a random graph is carried out by replacing each node's neighbors by those of a randomly sampled similar node. The sampled graphs preserve key characteristics of the graph structure without explicitly targeting them. Additionally, sampling from this model is extremely simple and scales linearly with the nodes. We show the usefulness of the copying model in three tasks. First, in node classification, a Bayesian formulation based on node copying achieves higher accuracy in sparse data settings. Second, we employ our proposed model to mitigate the effect of adversarial attacks on the graph topology. Last, incorporation of the model in a recommendation system setting improves recall over state-of-the-art methods.
Collaborative filtering (CF) is widely searched in recommendation with various types of solutions. Recent success of Graph Convolution Networks (GCN) in CF demonstrates the effectiveness of modeling high-order relationships through graphs, while repetitive graph convolution and iterative batch optimization limit their efficiency. Instead, item similarity models attempt to construct direct relationships through efficient interaction encoding. Despite their great performance, the growing item numbers result in quadratic growth in similarity modeling process, posing critical scalability problems. In this paper, we investigate the graph sampling strategy adopted in latest GCN model for efficiency improving, and identify the potential item group structure in the sampled graph. Based on this, we propose a novel item similarity model which introduces graph partitioning to restrict the item similarity modeling within each partition. Specifically, we show that the spectral information of the original graph is well in preserving global-level information. Then, it is added to fine-tune local item similarities with a new data augmentation strategy acted as partition-aware prior knowledge, jointly to cope with the information loss brought by partitioning. Experiments carried out on 4 datasets show that the proposed model outperforms state-of-the-art GCN models with 10x speed-up and item similarity models with 95\% parameter storage savings.
TensorFlow-GNN (TF-GNN) is a scalable library for Graph Neural Networks in TensorFlow. It is designed from the bottom up to support the kinds of rich heterogeneous graph data that occurs in today's information ecosystems. In addition to enabling machine learning researchers and advanced developers, TF-GNN offers low-code solutions to empower the broader developer community in graph learning. Many production models at Google use TF-GNN, and it has been recently released as an open source project. In this paper we describe the TF-GNN data model, its Keras message passing API, and relevant capabilities such as graph sampling and distributed training.
Procedural planning aims to implement complex high-level goals by decomposition into sequential simpler low-level steps. Although procedural planning is a basic skill set for humans in daily life, it remains a challenge for large language models (LLMs) that lack a deep understanding of the cause-effect relations in procedures. Previous methods require manual exemplars to acquire procedural planning knowledge from LLMs in the zero-shot setting. However, such elicited pre-trained knowledge in LLMs induces spurious correlations between goals and steps, which impair the model generalization to unseen tasks. In contrast, this paper proposes a neuro-symbolic procedural PLANner (PLAN) that elicits procedural planning knowledge from the LLMs with commonsense-infused prompting. To mitigate spurious goal-step correlations, we use symbolic program executors on the latent procedural representations to formalize prompts from commonsense knowledge bases as a causal intervention toward the Structural Causal Model. Both automatic and human evaluations on WikiHow and RobotHow show the superiority of PLAN on procedural planning without further training or manual exemplars.
In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected. The Graph Neural Network (GNN) has proven to be a very useful tool in a variety of graph learning tasks including node classification, link prediction, and edge classification. However, in most of these tasks, the graph data we are working with may be noisy and may contain spurious edges. That is, there is a lot of uncertainty associated with the underlying graph structure. Recent approaches to modeling uncertainty have been to use a Bayesian framework and view the graph as a random variable with probabilities associated with model parameters. Introducing the Bayesian paradigm to graph-based models, specifically for semi-supervised node classification, has been shown to yield higher classification accuracies. However, the method of graph inference proposed in recent work does not take into account the structure of the graph. In this paper, we propose a novel algorithm called Bayesian Graph Convolutional Network using Neighborhood Random Walk Sampling (BGCN-NRWS), which uses a Markov Chain Monte Carlo (MCMC) based graph sampling algorithm utilizing graph structure, reduces overfitting by using a variational inference layer, and yields consistently competitive classification results compared to the state-of-the-art in semi-supervised node classification.
We study the problem of large-scale network embedding, which aims to learn low-dimensional latent representations for network mining applications. Recent research in the field of network embedding has led to significant progress such as DeepWalk, LINE, NetMF, NetSMF. However, the huge size of many real-world networks makes it computationally expensive to learn network embedding from the entire network. In this work, we present a novel network embedding method called "NES", which learns network embedding from a small representative subgraph. NES leverages theories from graph sampling to efficiently construct representative subgraph with smaller size which can be used to make inferences about the full network, enabling significantly improved efficiency in embedding learning. Then, NES computes the network embedding from this representative subgraph, efficiently. Compared with well-known methods, extensive experiments on networks of various scales and types demonstrate that NES achieves comparable performance and significant efficiency superiority.
The dynamics of temporal networks lie in the continuous interactions between nodes, which exhibit the dynamic node preferences with time elapsing. The challenges of mining temporal networks are thus two-fold: the dynamic structure of networks and the dynamic node preferences. In this paper, we investigate the dynamic graph sampling problem, aiming to capture the preference structure of nodes dynamically in cooperation with GNNs. Our proposed Dynamic Preference Structure (DPS) framework consists of two stages: structure sampling and graph fusion. In the first stage, two parameterized samplers are designed to learn the preference structure adaptively with network reconstruction tasks. In the second stage, an additional attention layer is designed to fuse two sampled temporal subgraphs of a node, generating temporal node embeddings for downstream tasks. Experimental results on many real-life temporal networks show that our DPS outperforms several state-of-the-art methods substantially owing to learning an adaptive preference structure. The code will be released soon at https://github.com/doujiang-zheng/Dynamic-Preference-Structure.
Federated learning has attracted much research attention due to its privacy protection in distributed machine learning. However, existing work of federated learning mainly focuses on Convolutional Neural Network (CNN), which cannot efficiently handle graph data that are popular in many applications. Graph Convolutional Network (GCN) has been proposed as one of the most promising techniques for graph learning, but its federated setting has been seldom explored. In this paper, we propose FedGraph for federated graph learning among multiple computing clients, each of which holds a subgraph. FedGraph provides strong graph learning capability across clients by addressing two unique challenges. First, traditional GCN training needs feature data sharing among clients, leading to risk of privacy leakage. FedGraph solves this issue using a novel cross-client convolution operation. The second challenge is high GCN training overhead incurred by large graph size. We propose an intelligent graph sampling algorithm based on deep reinforcement learning, which can automatically converge to the optimal sampling policies that balance training speed and accuracy. We implement FedGraph based on PyTorch and deploy it on a testbed for performance evaluation. The experimental results of four popular datasets demonstrate that FedGraph significantly outperforms existing work by enabling faster convergence to higher accuracy.
Transformers have achieved remarkable performance in a myriad of fields including natural language processing and computer vision. However, when it comes to the graph mining area, where graph neural network (GNN) has been the dominant paradigm, transformers haven't achieved competitive performance, especially on the node classification task. Existing graph transformer models typically adopt fully-connected attention mechanism on the whole input graph and thus suffer from severe scalability issues and are intractable to train in data insufficient cases. To alleviate these issues, we propose a novel Gophormer model which applies transformers on ego-graphs instead of full-graphs. Specifically, Node2Seq module is proposed to sample ego-graphs as the input of transformers, which alleviates the challenge of scalability and serves as an effective data augmentation technique to boost model performance. Moreover, different from the feature-based attention strategy in vanilla transformers, we propose a proximity-enhanced attention mechanism to capture the fine-grained structural bias. In order to handle the uncertainty introduced by the ego-graph sampling, we further propose a consistency regularization and a multi-sample inference strategy for stabilized training and testing, respectively. Extensive experiments on six benchmark datasets are conducted to demonstrate the superiority of Gophormer over existing graph transformers and popular GNNs, revealing the promising future of graph transformers.
We study the problem of efficiently summarizing a short video into several keyframes, leveraging recent progress in fast graph sampling. Specifically, we first construct a similarity path graph (SPG) $\mathcal{G}$, represented by graph Laplacian matrix $\mathbf{L}$, where the similarities between adjacent frames are encoded as positive edge weights. We show that maximizing the smallest eigenvalue $\lambda_{\min}(\mathbf{B})$ of a coefficient matrix $\mathbf{B} = \text{diag}(\mathbf{a}) + \mu \mathbf{L}$, where $\mathbf{a}$ is the binary keyframe selection vector, is equivalent to minimizing a worst-case signal reconstruction error. We prove that, after partitioning $\mathcal{G}$ into $Q$ sub-graphs $\{\mathcal{G}^q\}^Q_{q=1}$, the smallest Gershgorin circle theorem (GCT) lower bound of $Q$ corresponding coefficient matrices -- $\min_q \lambda^-_{\min}(\mathbf{B}^q)$ -- is a lower bound for $\lambda_{\min}(\mathbf{B})$. This inspires a fast graph sampling algorithm to iteratively partition $\mathcal{G}$ into $Q$ sub-graphs using $Q$ samples (keyframes), while maximizing $\lambda^-_{\min}(\mathbf{B}^q)$ for each sub-graph $\mathcal{G}^q$. Experimental results show that our algorithm achieves comparable video summarization performance as state-of-the-art methods, at a substantially reduced complexity.