Haoteng Yin

Haorui Wang, Haoteng Yin, Muhan Zhang et al.

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to address this problem by using random node features or node distance features. However, they suffer from either slow convergence, inaccurate prediction, or high complexity. In this work, we revisit GNNs that allow using positional features of nodes given by positional encoding (PE) techniques such as Laplacian Eigenmap, Deepwalk, etc. GNNs with PE often get criticized because they are not generalizable to unseen graphs (inductive) or stable. Here, we study these issues in a principled way and propose a provable solution, a class of GNN layers termed PEG with rigorous mathematical analysis. PEG uses separate channels to update the original node features and positional features. PEG imposes permutation equivariance w.r.t. the original node features and imposes $O(p)$ (orthogonal group) equivariance w.r.t. the positional features simultaneously, where $p$ is the dimension of used positional features. Extensive link prediction experiments over 8 real-world networks demonstrate the advantages of PEG in generalization and scalability.

Rongzhe Wei, Haoteng Yin, Junteng Jia et al.

Graph neural networks (GNNs) have shown superiority in many prediction tasks over graphs due to their impressive capability of capturing nonlinear relations in graph-structured data. However, for node classification tasks, often, only marginal improvement of GNNs over their linear counterparts has been observed. Previous works provide very few understandings of this phenomenon. In this work, we resort to Bayesian learning to deeply investigate the functions of non-linearity in GNNs for node classification tasks. Given a graph generated from the statistical model CSBM, we observe that the max-a-posterior estimation of a node label given its own and neighbors' attributes consists of two types of non-linearity, a possibly non-linear transformation of node attributes and a ReLU-activated feature aggregation from neighbors. The latter surprisingly matches the type of non-linearity used in many GNN models. By further imposing Gaussian assumption on node attributes, we prove that the superiority of those ReLU activations is only significant when the node attributes are far more informative than the graph structure, which nicely matches many previous empirical observations. A similar argument can be achieved when there is a distribution shift of node attributes between the training and testing datasets. Finally, we verify our theory on both synthetic and real-world networks.

Haoteng Yin, Muhan Zhang, Jianguo Wang et al.

Subgraph-based graph representation learning (SGRL) has recently emerged as a powerful tool in many prediction tasks on graphs due to its advantages in model expressiveness and generalization ability. Most previous SGRL models face computational challenges associated with the high cost of subgraph extraction for each training or test query. Recently, SUREL was proposed to accelerate SGRL, which samples random walks offline and joins these walks online as a proxy of subgraph for representation learning. Thanks to the reusability of sampled walks across different queries, SUREL achieves state-of-the-art performance in terms of scalability and prediction accuracy. However, SUREL still suffers from high computational overhead caused by node duplication in sampled walks. In this work, we propose a novel framework SUREL+ that upgrades SUREL by using node sets instead of walks to represent subgraphs. This set-based representation eliminates repeated nodes by definition but can also be irregular in size. To address this issue, we design a customized sparse data structure to efficiently store and access node sets and provide a specialized operator to join them in parallel batches. SUREL+ is modularized to support multiple types of set samplers, structural features, and neural encoders to complement the structural information loss after the reduction from walks to sets. Extensive experiments have been performed to validate SUREL+ in the prediction tasks of links, relation types, and higher-order patterns. SUREL+ achieves 3-11$\times$ speedups of SUREL while maintaining comparable or even better prediction performance; compared to other SGRL baselines, SUREL+ achieves $\sim$20$\times$ speedups and significantly improves the prediction accuracy.

Prasita Mukherjee, Haoteng Yin

Model Checking is widely applied in verifying the correctness of complex and concurrent systems against a specification. Pure symbolic approaches while popular, suffer from the state space explosion problem due to cross product operations required that make them prohibitively expensive for large-scale systems and/or specifications. In this paper, we propose to use graph representation learning (GRL) for solving linear temporal logic (LTL) model checking, where the system and the specification are expressed by a B{ü}chi automaton and an LTL formula, respectively. A novel GRL-based framework \model, is designed to learn the representation of the graph-structured system and specification, which reduces the model checking problem to binary classification. Empirical experiments on two model checking scenarios show that \model achieves promising accuracy, with up to $11\times$ overall speedup against canonical SOTA model checkers and $31\times$ for satisfiability checking alone.

Prasita Mukherjee, Haoteng Yin, Susheel Suresh et al.

Model Checking is widely applied in verifying the correctness of complex and concurrent systems against a specification. Pure symbolic approaches while popular, still suffer from the state space explosion problem that makes them impractical for large scale systems and/or specifications. In this paper, we propose to use graph representation learning (GRL) for solving linear temporal logic (LTL) model checking, where the system and the specification are expressed by a Büchi automaton and an LTL formula respectively. A novel GRL-based framework OCTAL, is designed to learn the representation of the graph-structured system and specification, which reduces the model checking problem to binary classification in the latent space. The empirical experiments show that OCTAL achieves comparable accuracy against canonical SOTA model checkers on three different datasets, with up to $5\times$ overall speedup and above $63\times$ for satisfiability checking alone.

Rongzhe Wei, Eleonora Kreačić, Haoyu Wang et al.

Privacy concerns have led to a surge in the creation of synthetic datasets, with diffusion models emerging as a promising avenue. Although prior studies have performed empirical evaluations on these models, there has been a gap in providing a mathematical characterization of their privacy-preserving capabilities. To address this, we present the pioneering theoretical exploration of the privacy preservation inherent in discrete diffusion models (DDMs) for discrete dataset generation. Focusing on per-instance differential privacy (pDP), our framework elucidates the potential privacy leakage for each data point in a given training dataset, offering insights into how the privacy loss of each point correlates with the dataset's distribution. Our bounds also show that training with $s$-sized data points leads to a surge in privacy leakage from $(ε, O(\frac{1}{s^2ε}))$-pDP to $(ε, O(\frac{1}{sε}))$-pDP of the DDM during the transition from the pure noise to the synthetic clean data phase, and a faster decay in diffusion coefficients amplifies the privacy guarantee. Finally, we empirically verify our theoretical findings on both synthetic and real-world datasets.

Yinan Huang, Haoteng Yin, Eli Chien et al.

Learning with relational and network-structured data is increasingly vital in sensitive domains where protecting the privacy of individual entities is paramount. Differential Privacy (DP) offers a principled approach for quantifying privacy risks, with DP-SGD emerging as a standard mechanism for private model training. However, directly applying DP-SGD to relational learning is challenging due to two key factors: (i) entities often participate in multiple relations, resulting in high and difficult-to-control sensitivity; and (ii) relational learning typically involves multi-stage, potentially coupled (interdependent) sampling procedures that make standard privacy amplification analyses inapplicable. This work presents a principled framework for relational learning with formal entity-level DP guarantees. We provide a rigorous sensitivity analysis and introduce an adaptive gradient clipping scheme that modulates clipping thresholds based on entity occurrence frequency. We also extend the privacy amplification results to a tractable subclass of coupled sampling, where the dependence arises only through sample sizes. These contributions lead to a tailored DP-SGD variant for relational data with provable privacy guarantees. Experiments on fine-tuning text encoders over text-attributed network-structured relational data demonstrate the strong utility-privacy trade-offs of our approach. Our code is available at https://github.com/Graph-COM/Node_DP.

Wei Xiang, Haoteng Yin, He Wang et al.

Pedestrian trajectory prediction is the key technology in many applications for providing insights into human behavior and anticipating human future motions. Most existing empirical models are explicitly formulated by observed human behaviors using explicable mathematical terms with a deterministic nature, while recent work has focused on developing hybrid models combined with learning-based techniques for powerful expressiveness while maintaining explainability. However, the deterministic nature of the learned steering behaviors from the empirical models limits the models' practical performance. To address this issue, this work proposes the social conditional variational autoencoder (SocialCVAE) for predicting pedestrian trajectories, which employs a CVAE to explore behavioral uncertainty in human motion decisions. SocialCVAE learns socially reasonable motion randomness by utilizing a socially explainable interaction energy map as the CVAE's condition, which illustrates the future occupancy of each pedestrian's local neighborhood area. The energy map is generated using an energy-based interaction model, which anticipates the energy cost (i.e., repulsion intensity) of pedestrians' interactions with neighbors. Experimental results on two public benchmarks including 25 scenes demonstrate that SocialCVAE significantly improves prediction accuracy compared with the state-of-the-art methods, with up to 16.85% improvement in Average Displacement Error (ADE) and 69.18% improvement in Final Displacement Error (FDE).

Tianyi Zhang, Haoteng Yin, Rongzhe Wei et al.

Graph neural networks (GNNs) have shown great potential in learning on graphs, but they are known to perform sub-optimally on link prediction tasks. Existing GNNs are primarily designed to learn node-wise representations and usually fail to capture pairwise relations between target nodes, which proves to be crucial for link prediction. Recent works resort to learning more expressive edge-wise representations by enhancing vanilla GNNs with structural features such as labeling tricks and link prediction heuristics, but they suffer from high computational overhead and limited scalability. To tackle this issue, we propose to learn structural link representations by augmenting the message-passing framework of GNNs with Bloom signatures. Bloom signatures are hashing-based compact encodings of node neighborhoods, which can be efficiently merged to recover various types of edge-wise structural features. We further show that any type of neighborhood overlap-based heuristic can be estimated by a neural network that takes Bloom signatures as input. GNNs with Bloom signatures are provably more expressive than vanilla GNNs and also more scalable than existing edge-wise models. Experimental results on five standard link prediction benchmarks show that our proposed model achieves comparable or better performance than existing edge-wise GNN models while being 3-200 $\times$ faster and more memory-efficient for online inference.

Haoteng Yin, Muhan Zhang, Yanbang Wang et al.

Subgraph-based graph representation learning (SGRL) has been recently proposed to deal with some fundamental challenges encountered by canonical graph neural networks (GNNs), and has demonstrated advantages in many important data science applications such as link, relation and motif prediction. However, current SGRL approaches suffer from scalability issues since they require extracting subgraphs for each training or test query. Recent solutions that scale up canonical GNNs may not apply to SGRL. Here, we propose a novel framework SUREL for scalable SGRL by co-designing the learning algorithm and its system support. SUREL adopts walk-based decomposition of subgraphs and reuses the walks to form subgraphs, which substantially reduces the redundancy of subgraph extraction and supports parallel computation. Experiments over six homogeneous, heterogeneous and higher-order graphs with millions of nodes and edges demonstrate the effectiveness and scalability of SUREL. In particular, compared to SGRL baselines, SUREL achieves 10$\times$ speed-up with comparable or even better prediction performance; while compared to canonical GNNs, SUREL achieves 50% prediction accuracy improvement.

Haoteng Yin, Yanbang Wang, Pan Li

Graph neural networks (GNNs) are widely used in the applications based on graph structured data, such as node classification and link prediction. However, GNNs are often used as a black-box tool and rarely get in-depth investigated regarding whether they fit certain applications that may have various properties. A recently proposed technique distance encoding (DE) (Li et al. 2020) magically makes GNNs work well in many applications, including node classification and link prediction. The theory provided in (Li et al. 2020) supports DE by proving that DE improves the representation power of GNNs. However, it is not obvious how the theory assists the applications accordingly. Here, we revisit GNNs and DE from a more practical point of view. We want to explain how DE makes GNNs fit for node classification and link prediction. Specifically, for link prediction, DE can be viewed as a way to establish correlations between a pair of node representations. For node classification, the problem becomes more complicated as different classification tasks may hold node labels that indicate different physical meanings. We focus on the most widely-considered node classification scenarios and categorize the node labels into two types, community type and structure type, and then analyze different mechanisms that GNNs adopt to predict these two types of labels. We also run extensive experiments to compare eight different configurations of GNNs paired with DE to predict node labels over eight real-world graphs. The results demonstrate the uniform effectiveness of DE to predict structure-type labels. Lastly, we reach three pieces of conclusions on how to use GNNs and DE properly in tasks of node classification.

Bing Yu, Haoteng Yin, Zhanxing Zhu

The spatio-temporal graph learning is becoming an increasingly important object of graph study. Many application domains involve highly dynamic graphs where temporal information is crucial, e.g. traffic networks and financial transaction graphs. Despite the constant progress made on learning structured data, there is still a lack of effective means to extract dynamic complex features from spatio-temporal structures. Particularly, conventional models such as convolutional networks or recurrent neural networks are incapable of revealing the temporal patterns in short or long terms and exploring the spatial properties in local or global scope from spatio-temporal graphs simultaneously. To tackle this problem, we design a novel multi-scale architecture, Spatio-Temporal U-Net (ST-UNet), for graph-structured time series modeling. In this U-shaped network, a paired sampling operation is proposed in spacetime domain accordingly: the pooling (ST-Pool) coarsens the input graph in spatial from its deterministic partition while abstracts multi-resolution temporal dependencies through dilated recurrent skip connections; based on previous settings in the downsampling, the unpooling (ST-Unpool) restores the original structure of spatio-temporal graphs and resumes regular intervals within graph sequences. Experiments on spatio-temporal prediction tasks demonstrate that our model effectively captures comprehensive features in multiple scales and achieves substantial improvements over mainstream methods on several real-world datasets.

Bing Yu, Haoteng Yin, Zhanxing Zhu

Timely accurate traffic forecast is crucial for urban traffic control and guidance. Due to the high nonlinearity and complexity of traffic flow, traditional methods cannot satisfy the requirements of mid-and-long term prediction tasks and often neglect spatial and temporal dependencies. In this paper, we propose a novel deep learning framework, Spatio-Temporal Graph Convolutional Networks (STGCN), to tackle the time series prediction problem in traffic domain. Instead of applying regular convolutional and recurrent units, we formulate the problem on graphs and build the model with complete convolutional structures, which enable much faster training speed with fewer parameters. Experiments show that our model STGCN effectively captures comprehensive spatio-temporal correlations through modeling multi-scale traffic networks and consistently outperforms state-of-the-art baselines on various real-world traffic datasets.