WHO's report on environmental noise estimates that 22 M people suffer from chronic annoyance related to noise caused by audio events (AEs) from various sources. Annoyance may lead to health issues and adverse effects on metabolic and cognitive systems. In cities, monitoring noise levels does not provide insights into noticeable AEs, let alone their relations to annoyance. To create annoyance-related monitoring, this paper proposes a graph-based model to identify AEs in a soundscape, and explore relations between diverse AEs and human-perceived annoyance rating (AR). Specifically, this paper proposes a lightweight multi-level graph learning (MLGL) based on local and global semantic graphs to simultaneously perform audio event classification (AEC) and human annoyance rating prediction (ARP). Experiments show that: 1) MLGL with 4.1 M parameters improves AEC and ARP results by using semantic node information in local and global context aware graphs; 2) MLGL captures relations between coarse and fine-grained AEs and AR well; 3) Statistical analysis of MLGL results shows that some AEs from different sources significantly correlate with AR, which is consistent with previous research on human perception of these sound sources.
Graph representation learning is a fundamental research theme and can be generalized to benefit multiple downstream tasks from the node and link levels to the higher graph level. In practice, it is desirable to develop task-agnostic general graph representation learning methods that are typically trained in an unsupervised manner. Related research reveals that the power of graph representation learning methods depends on whether they can differentiate distinct graph structures as different embeddings and map isomorphic graphs to consistent embeddings (i.e., the isomorphic consistency of graph models). However, for task-agnostic general graph representation learning, existing unsupervised graph models, represented by the variational graph auto-encoders (VGAEs), can only keep the isomorphic consistency within the subgraphs of 1-hop neighborhoods and thus usually manifest inferior performance on the more difficult higher-level tasks. To overcome the limitations of existing unsupervised methods, in this paper, we propose the Isomorphic-Consistent VGAE (IsoC-VGAE) for multi-level task-agnostic graph representation learning. We first devise a decoding scheme to provide a theoretical guarantee of keeping the isomorphic consistency under the settings of unsupervised learning. We then propose the Inverse Graph Neural Network (Inv-GNN) decoder as its intuitive realization, which trains the model via reconstructing the GNN node embeddings with multi-hop neighborhood information, so as to maintain the high-order isomorphic consistency within the VGAE framework. We conduct extensive experiments on the representative graph learning tasks at different levels, including node classification, link prediction and graph classification, and the results verify that our proposed model generally outperforms both the state-of-the-art unsupervised methods and representative supervised methods.
Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to errors stemming from observational noise, graph-learning limitations, or adversarial attacks. If ignored, these perturbations may drastically hinder the performance of GNNs. To address this limitation, this work proposes a robust implementation of GNNs that explicitly accounts for the presence of perturbations in the observed topology. For any task involving GNNs, our core idea is to i) solve an optimization problem not only over the learnable parameters of the GNN but also over the true graph, and ii) augment the fitting cost with a term accounting for discrepancies on the graph. Specifically, we consider a convolutional GNN based on graph filters and follow an alternating optimization approach to handle the (non-differentiable and constrained) optimization problem by combining gradient descent and projected proximal updates. The resulting algorithm is not limited to a particular type of graph and is amenable to incorporating prior information about the perturbations. Finally, we assess the performance of the proposed method through several numerical experiments.
The hydrometric prediction of water quantity is useful for a variety of applications, including water management, flood forecasting, and flood control. However, the task is difficult due to the dynamic nature and limited data of water systems. Highly interconnected water systems can significantly affect hydrometric forecasting. Consequently, it is crucial to develop models that represent the relationships between other system components. In recent years, numerous hydrological applications have been studied, including streamflow prediction, flood forecasting, and water quality prediction. Existing methods are unable to model the influence of adjacent regions between pairs of variables. In this paper, we propose a spatiotemporal forecasting model that augments the hidden state in Graph Convolution Recurrent Neural Network (GCRN) encoder-decoder using an efficient version of the attention mechanism. The attention layer allows the decoder to access different parts of the input sequence selectively. Since water systems are interconnected and the connectivity information between the stations is implicit, the proposed model leverages a graph learning module to extract a sparse graph adjacency matrix adaptively based on the data. Spatiotemporal forecasting relies on historical data. In some regions, however, historical data may be limited or incomplete, making it difficult to accurately predict future water conditions. Further, we present a new benchmark dataset of water flow from a network of Canadian stations on rivers, streams, and lakes. Experimental results demonstrate that our proposed model TransGlow significantly outperforms baseline methods by a wide margin.
Graph learning methods help utilize implicit relationships among data items, thereby reducing training label requirements and improving task performance. However, determining the optimal graph structure for a particular learning task remains a challenging research problem. In this work, we introduce the Graph Lottery Ticket (GLT) Hypothesis - that there is an extremely sparse backbone for every graph, and that graph learning algorithms attain comparable performance when trained on that subgraph as on the full graph. We identify and systematically study 8 key metrics of interest that directly influence the performance of graph learning algorithms. Subsequently, we define the notion of a "winning ticket" for graph structure - an extremely sparse subset of edges that can deliver a robust approximation of the entire graph's performance. We propose a straightforward and efficient algorithm for finding these GLTs in arbitrary graphs. Empirically, we observe that performance of different graph learning algorithms can be matched or even exceeded on graphs with the average degree as low as 5.
Learning from Text-Attributed Graphs (TAGs) has attracted significant attention due to its wide range of real-world applications. The rapid evolution of language models (LMs) has revolutionized the way we process textual data, which indicates a strong potential to replace shallow text embedding generally used in Graph Neural Networks (GNNs). However, we find that existing LM approaches that exploit text information in graphs suffer from inferior computation and data efficiency. In this study, we introduce LEADING, a novel and efficient approach for end-to-end fine-tuning of language models on TAGs. To enhance data efficiency, LEADING efficiently transfers rich knowledge from LMs to downstream graph learning tasks with limited labeled data by employing end-to-end training of LMs and GNNs in a semi-supervised learning setting. To address associated computation efficiency issues, it introduces two techniques: neighbor decoupling targeting LMs and implicit graph modeling targeting GNNs, respectively. Our proposed approach demonstrates superior performance, achieving state-of-the-art (SOTA) results on the ogbn-arxiv leaderboard, while maintaining computation cost and memory overhead comparable to graph-less fine-tuning of LMs. Through comprehensive experiments, we showcase its superior computation and data efficiency, presenting a promising solution for various LMs and graph learning tasks on TAGs.
Deep Graph Learning (DGL) has emerged as a crucial technique across various domains. However, recent studies have exposed vulnerabilities in DGL models, such as susceptibility to evasion and poisoning attacks. While empirical and provable robustness techniques have been developed to defend against graph modification attacks (GMAs), the problem of certified robustness against graph injection attacks (GIAs) remains largely unexplored. To bridge this gap, we introduce the node-aware bi-smoothing framework, which is the first certifiably robust approach for general node classification tasks against GIAs. Notably, the proposed node-aware bi-smoothing scheme is model-agnostic and is applicable for both evasion and poisoning attacks. Through rigorous theoretical analysis, we establish the certifiable conditions of our smoothing scheme. We also explore the practical implications of our node-aware bi-smoothing schemes in two contexts: as an empirical defense approach against real-world GIAs and in the context of recommendation systems. Furthermore, we extend two state-of-the-art certified robustness frameworks to address node injection attacks and compare our approach against them. Extensive evaluations demonstrate the effectiveness of our proposed certificates.
We consider the problem of estimating differences in two Gaussian graphical models (GGMs) which are known to have similar structure. The GGM structure is encoded in its precision (inverse covariance) matrix. In many applications one is interested in estimating the difference in two precision matrices to characterize underlying changes in conditional dependencies of two sets of data. Existing methods for differential graph estimation are based on single-attribute (SA) models where one associates a scalar random variable with each node. In multi-attribute (MA) graphical models, each node represents a random vector. In this paper, we analyze a group lasso penalized D-trace loss function approach for differential graph learning from multi-attribute data. An alternating direction method of multipliers (ADMM) algorithm is presented to optimize the objective function. Theoretical analysis establishing consistency in support recovery and estimation in high-dimensional settings is provided. Numerical results based on synthetic as well as real data are presented.
Recently, graph neural networks (GNNs) have shown prominent performance in semi-supervised node classification by leveraging knowledge from the graph database. However, most existing GNNs follow the homophily assumption, where connected nodes are more likely to exhibit similar feature distributions and the same labels, and such an assumption has proven to be vulnerable in a growing number of practical applications. As a supplement, heterophily reflects dissimilarity in connected nodes, which has gained significant attention in graph learning. To this end, data engineers aim to develop a powerful GNN model that can ensure performance under both homophily and heterophily. Despite numerous attempts, most existing GNNs struggle to achieve optimal node representations due to the constraints of undirected graphs. The neglect of directed edges results in sub-optimal graph representations, thereby hindering the capacity of GNNs. To address this issue, we introduce AMUD, which quantifies the relationship between node profiles and topology from a statistical perspective, offering valuable insights for Adaptively Modeling the natural directed graphs as the Undirected or Directed graph to maximize the benefits from subsequent graph learning. Furthermore, we propose Adaptive Directed Pattern Aggregation (ADPA) as a new directed graph learning paradigm for AMUD. Empirical studies have demonstrated that AMUD guides efficient graph learning. Meanwhile, extensive experiments on 16 benchmark datasets substantiate the impressive performance of ADPA, outperforming baselines by significant margins of 3.96.
Spatio-temporal forecasting in various domains, like traffic prediction and weather forecasting, is a challenging endeavor, primarily due to the difficulties in modeling propagation dynamics and capturing high-dimensional interactions among nodes. Despite the significant strides made by graph-based networks in spatio-temporal forecasting, there remain two pivotal factors closely related to forecasting performance that need further consideration: time delays in propagation dynamics and multi-scale high-dimensional interactions. In this work, we present a Series-Aligned Multi-Scale Graph Learning (SAMSGL) framework, aiming to enhance forecasting performance. In order to handle time delays in spatial interactions, we propose a series-aligned graph convolution layer to facilitate the aggregation of non-delayed graph signals, thereby mitigating the influence of time delays for the improvement in accuracy. To understand global and local spatio-temporal interactions, we develop a spatio-temporal architecture via multi-scale graph learning, which encompasses two essential components: multi-scale graph structure learning and graph-fully connected (Graph-FC) blocks. The multi-scale graph structure learning includes a global graph structure to learn both delayed and non-delayed node embeddings, as well as a local one to learn node variations influenced by neighboring factors. The Graph-FC blocks synergistically fuse spatial and temporal information to boost prediction accuracy. To evaluate the performance of SAMSGL, we conduct experiments on meteorological and traffic forecasting datasets, which demonstrate its effectiveness and superiority.
Graph Neural Networks (GNNs) play a crucial role in various fields. However, most existing deep graph learning frameworks assume pre-stored static graphs and do not support training on graph streams. In contrast, many real-world graphs are dynamic and contain time domain information. We introduce GNNFlow, a distributed framework that enables efficient continuous temporal graph representation learning on dynamic graphs on multi-GPU machines. GNNFlow introduces an adaptive time-indexed block-based data structure that effectively balances memory usage with graph update and sampling operation efficiency. It features a hybrid GPU-CPU graph data placement for rapid GPU-based temporal neighborhood sampling and kernel optimizations for enhanced sampling processes. A dynamic GPU cache for node and edge features is developed to maximize cache hit rates through reuse and restoration strategies. GNNFlow supports distributed training across multiple machines with static scheduling to ensure load balance. We implement GNNFlow based on DGL and PyTorch. Our experimental results show that GNNFlow provides up to 21.1x faster continuous learning than existing systems.
Graph condensation, which reduces the size of a large-scale graph by synthesizing a small-scale condensed graph as its substitution, has immediate benefits for various graph learning tasks. However, existing graph condensation methods rely on the joint optimization of nodes and structures in the condensed graph, and overlook critical issues in effectiveness and generalization ability. In this paper, we advocate a new Structure-Free Graph Condensation paradigm, named SFGC, to distill a large-scale graph into a small-scale graph node set without explicit graph structures, i.e., graph-free data. Our idea is to implicitly encode topology structure information into the node attributes in the synthesized graph-free data, whose topology is reduced to an identity matrix. Specifically, SFGC contains two collaborative components: (1) a training trajectory meta-matching scheme for effectively synthesizing small-scale graph-free data; (2) a graph neural feature score metric for dynamically evaluating the quality of the condensed data. Through training trajectory meta-matching, SFGC aligns the long-term GNN learning behaviors between the large-scale graph and the condensed small-scale graph-free data, ensuring comprehensive and compact transfer of informative knowledge to the graph-free data. Afterward, the underlying condensed graph-free data would be dynamically evaluated with the graph neural feature score, which is a closed-form metric for ensuring the excellent expressiveness of the condensed graph-free data. Extensive experiments verify the superiority of SFGC across different condensation ratios.
Over the past few years, graph neural networks (GNNs) have become powerful and practical tools for learning on (static) graph-structure data. However, many real-world applications, such as social networks and e-commerce, involve temporal graphs where nodes and edges are dynamically evolving. Temporal graph neural networks (TGNNs) have progressively emerged as an extension of GNNs to address time-evolving graphs and have gradually become a trending research topic in both academics and industry. Advancing research and application in such an emerging field necessitates the development of new tools to compose TGNN models and unify their different schemes for dealing with temporal graphs. In this work, we introduce LasTGL, an industrial framework that integrates unified and extensible implementations of common temporal graph learning algorithms for various advanced tasks. The purpose of LasTGL is to provide the essential building blocks for solving temporal graph learning tasks, focusing on the guiding principles of user-friendliness and quick prototyping on which PyTorch is based. In particular, LasTGL provides comprehensive temporal graph datasets, TGNN models and utilities along with well-documented tutorials, making it suitable for both absolute beginners and expert deep learning practitioners alike.
Unit commitment (UC) problems are typically formulated as mixed-integer programs (MIP) and solved by the branch-and-bound (B&B) scheme. The recent advances in graph neural networks (GNN) enable it to enhance the B&B algorithm in modern MIP solvers by learning to dive and branch. Existing GNN models that tackle MIP problems are mostly constructed from mathematical formulation, which is computationally expensive when dealing with large-scale UC problems. In this paper, we propose a physics-informed hierarchical graph convolutional network (PI-GCN) for neural diving that leverages the underlying features of various components of power systems to find high-quality variable assignments. Furthermore, we adopt the MIP model-based graph convolutional network (MB-GCN) for neural branching to select the optimal variables for branching at each node of the B&B tree. Finally, we integrate neural diving and neural branching into a modern MIP solver to establish a novel neural MIP solver designed for large-scale UC problems. Numeral studies show that PI-GCN has better performance and scalability than the baseline MB-GCN on neural diving. Moreover, the neural MIP solver yields the lowest operational cost and outperforms a modern MIP solver for all testing days after combining it with our proposed neural diving model and the baseline neural branching model.
Cycles are fundamental elements in graph-structured data and have demonstrated their effectiveness in enhancing graph learning models. To encode such information into a graph learning framework, prior works often extract a summary quantity, ranging from the number of cycles to the more sophisticated persistence diagram summaries. However, more detailed information, such as which edges are encoded in a cycle, has not yet been used in graph neural networks. In this paper, we make one step towards addressing this gap, and propose a structure encoding module, called CycleNet, that encodes cycle information via edge structure encoding in a permutation invariant manner. To efficiently encode the space of all cycles, we start with a cycle basis (i.e., a minimal set of cycles generating the cycle space) which we compute via the kernel of the 1-dimensional Hodge Laplacian of the input graph. To guarantee the encoding is invariant w.r.t. the choice of cycle basis, we encode the cycle information via the orthogonal projector of the cycle basis, which is inspired by BasisNet proposed by Lim et al. We also develop a more efficient variant which however requires that the input graph has a unique shortest cycle basis. To demonstrate the effectiveness of the proposed module, we provide some theoretical understandings of its expressive power. Moreover, we show via a range of experiments that networks enhanced by our CycleNet module perform better in various benchmarks compared to several existing SOTA models.
We consider the problem of spectral clustering under group fairness constraints, where samples from each sensitive group are approximately proportionally represented in each cluster. Traditional fair spectral clustering (FSC) methods consist of two consecutive stages, i.e., performing fair spectral embedding on a given graph and conducting $k$means to obtain discrete cluster labels. However, in practice, the graph is usually unknown, and we need to construct the underlying graph from potentially noisy data, the quality of which inevitably affects subsequent fair clustering performance. Furthermore, performing FSC through separate steps breaks the connections among these steps, leading to suboptimal results. To this end, we first theoretically analyze the effect of the constructed graph on FSC. Motivated by the analysis, we propose a novel graph construction method with a node-adaptive graph filter to learn graphs from noisy data. Then, all independent stages of conventional FSC are integrated into a single objective function, forming an end-to-end framework that inputs raw data and outputs discrete cluster labels. An algorithm is developed to jointly and alternately update the variables in each stage. Finally, we conduct extensive experiments on synthetic, benchmark, and real data, which show that our model is superior to state-of-the-art fair clustering methods.
The latest advancements in large language models (LLMs) have revolutionized the field of natural language processing (NLP). Inspired by the success of LLMs in NLP tasks, some recent work has begun investigating the potential of applying LLMs in graph learning tasks. However, most of the existing work focuses on utilizing LLMs as powerful node feature augmenters, leaving employing LLMs to enhance graph topological structures an understudied problem. In this work, we explore how to leverage the information retrieval and text generation capabilities of LLMs to refine/enhance the topological structure of text-attributed graphs (TAGs) under the node classification setting. First, we propose using LLMs to help remove unreliable edges and add reliable ones in the TAG. Specifically, we first let the LLM output the semantic similarity between node attributes through delicate prompt designs, and then perform edge deletion and edge addition based on the similarity. Second, we propose using pseudo-labels generated by the LLM to improve graph topology, that is, we introduce the pseudo-label propagation as a regularization to guide the graph neural network (GNN) in learning proper edge weights. Finally, we incorporate the two aforementioned LLM-based methods for graph topological refinement into the process of GNN training, and perform extensive experiments on four real-world datasets. The experimental results demonstrate the effectiveness of LLM-based graph topology refinement (achieving a 0.15%--2.47% performance gain on public benchmarks).
Multivariate time series is prevalent in many scientific and industrial domains. Modeling multivariate signals is challenging due to their long-range temporal dependencies and intricate interactions--both direct and indirect. To confront these complexities, we introduce a method of representing multivariate signals as nodes in a graph with edges indicating interdependency between them. Specifically, we leverage graph neural networks (GNN) and attention mechanisms to efficiently learn the underlying relationships within the time series data. Moreover, we suggest employing hierarchical signal decompositions running over the graphs to capture multiple spatial dependencies. The effectiveness of our proposed model is evaluated across various real-world benchmark datasets designed for long-term forecasting tasks. The results consistently showcase the superiority of our model, achieving an average 23\% reduction in mean squared error (MSE) compared to existing models.
Recent studies attempted to utilize multilayer perceptrons (MLPs) to solve semi-supervised node classification on graphs, by training a student MLP by knowledge distillation (KD) from a teacher graph neural network (GNN). While previous studies have focused mostly on training the student MLP by matching the output probability distributions between the teacher and student models during KD, it has not been systematically studied how to inject the structural information in an explicit and interpretable manner. Inspired by GNNs that separate feature transformation $T$ and propagation $\Pi$, we re-frame the KD process as enabling the student MLP to explicitly learn both $T$ and $\Pi$. Although this can be achieved by applying the inverse propagation $\Pi^{-1}$ before distillation from the teacher GNN, it still comes with a high computational cost from large matrix multiplications during training. To solve this problem, we propose Propagate & Distill (P&D), which propagates the output of the teacher GNN before KD and can be interpreted as an approximate process of the inverse propagation $\Pi^{-1}$. Through comprehensive evaluations using real-world benchmark datasets, we demonstrate the effectiveness of P&D by showing further performance boost of the student MLP.
Resting-state fMRI (rs-fMRI) functional connectivity (FC) analysis provides valuable insights into the relationships between different brain regions and their potential implications for neurological or psychiatric disorders. However, specific design efforts to predict treatment response from rs-fMRI remain limited due to difficulties in understanding the current brain state and the underlying mechanisms driving the observed patterns, which limited the clinical application of rs-fMRI. To overcome that, we propose a graph learning framework that captures comprehensive features by integrating both correlation and distance-based similarity measures under a contrastive loss. This approach results in a more expressive framework that captures brain dynamic features at different scales and enables more accurate prediction of treatment response. Our experiments on the chronic pain and depersonalization disorder datasets demonstrate that our proposed method outperforms current methods in different scenarios. To the best of our knowledge, we are the first to explore the integration of distance-based and correlation-based neural similarity into graph learning for treatment response prediction.