Beihang University
Abstract:Dynamic graphs exhibit intertwined spatio-temporal evolutionary patterns, widely existing in the real world. Nevertheless, the structure incompleteness, noise, and redundancy result in poor robustness for Dynamic Graph Neural Networks (DGNNs). Dynamic Graph Structure Learning (DGSL) offers a promising way to optimize graph structures. However, aside from encountering unacceptable quadratic complexity, it overly relies on heuristic priors, making it hard to discover underlying predictive patterns. How to efficiently refine the dynamic structures, capture intrinsic dependencies, and learn robust representations, remains under-explored. In this work, we propose the novel DG-Mamba, a robust and efficient Dynamic Graph structure learning framework with the Selective State Space Models (Mamba). To accelerate the spatio-temporal structure learning, we propose a kernelized dynamic message-passing operator that reduces the quadratic time complexity to linear. To capture global intrinsic dynamics, we establish the dynamic graph as a self-contained system with State Space Model. By discretizing the system states with the cross-snapshot graph adjacency, we enable the long-distance dependencies capturing with the selective snapshot scan. To endow learned dynamic structures more expressive with informativeness, we propose the self-supervised Principle of Relevant Information for DGSL to regularize the most relevant yet least redundant information, enhancing global robustness. Extensive experiments demonstrate the superiority of the robustness and efficiency of our DG-Mamba compared with the state-of-the-art baselines against adversarial attacks.
Abstract:Representation learning is a fundamental aspect of modern artificial intelligence, driving substantial improvements across diverse applications. While selfsupervised contrastive learning has led to significant advancements in fields like computer vision and natural language processing, its adaptation to tabular data presents unique challenges. Traditional approaches often prioritize optimizing model architecture and loss functions but may overlook the crucial task of constructing meaningful positive and negative sample pairs from various perspectives like feature interactions, instance-level patterns and batch-specific contexts. To address these challenges, we introduce TabDeco, a novel method that leverages attention-based encoding strategies across both rows and columns and employs contrastive learning framework to effectively disentangle feature representations at multiple levels, including features, instances and data batches. With the innovative feature decoupling hierarchies, TabDeco consistently surpasses existing deep learning methods and leading gradient boosting algorithms, including XG-Boost, CatBoost, and LightGBM, across various benchmark tasks, underscoring its effectiveness in advancing tabular data representation learning.
Abstract:In this work, we introduce MOLA: a Multi-block Orthogonal Long short-term memory Autoencoder paradigm, to conduct accurate, reliable fault detection of industrial processes. To achieve this, MOLA effectively extracts dynamic orthogonal features by introducing an orthogonality-based loss function to constrain the latent space output. This helps eliminate the redundancy in the features identified, thereby improving the overall monitoring performance. On top of this, a multi-block monitoring structure is proposed, which categorizes the process variables into multiple blocks by leveraging expert process knowledge about their associations with the overall process. Each block is associated with its specific Orthogonal Long short-term memory Autoencoder model, whose extracted dynamic orthogonal features are monitored by distance-based Hotelling's $T^2$ statistics and quantile-based cumulative sum (CUSUM) designed for multivariate data streams that are nonparametric, heterogeneous in nature. Compared to having a single model accounting for all process variables, such a multi-block structure improves the overall process monitoring performance significantly, especially for large-scale industrial processes. Finally, we propose an adaptive weight-based Bayesian fusion (W-BF) framework to aggregate all block-wise monitoring statistics into a global statistic that we monitor for faults, with the goal of improving fault detection speed by assigning weights to blocks based on the sequential order where alarms are raised. We demonstrate the efficiency and effectiveness of our MOLA framework by applying it to the Tennessee Eastman Process and comparing the performance with various benchmark methods.
Abstract:Graph condensation (GC) has recently garnered considerable attention due to its ability to reduce large-scale graph datasets while preserving their essential properties. The core concept of GC is to create a smaller, more manageable graph that retains the characteristics of the original graph. Despite the proliferation of graph condensation methods developed in recent years, there is no comprehensive evaluation and in-depth analysis, which creates a great obstacle to understanding the progress in this field. To fill this gap, we develop a comprehensive Graph Condensation Benchmark (GC-Bench) to analyze the performance of graph condensation in different scenarios systematically. Specifically, GC-Bench systematically investigates the characteristics of graph condensation in terms of the following dimensions: effectiveness, transferability, and complexity. We comprehensively evaluate 12 state-of-the-art graph condensation algorithms in node-level and graph-level tasks and analyze their performance in 12 diverse graph datasets. Further, we have developed an easy-to-use library for training and evaluating different GC methods to facilitate reproducible research. The GC-Bench library is available at https://github.com/RingBDStack/GC-Bench.
Abstract:Multi-modal relation extraction (MMRE) is a challenging task that aims to identify relations between entities in text leveraging image information. Existing methods are limited by their neglect of the multiple entity pairs in one sentence sharing very similar contextual information (ie, the same text and image), resulting in increased difficulty in the MMRE task. To address this limitation, we propose the Variational Multi-Modal Hypergraph Attention Network (VM-HAN) for multi-modal relation extraction. Specifically, we first construct a multi-modal hypergraph for each sentence with the corresponding image, to establish different high-order intra-/inter-modal correlations for different entity pairs in each sentence. We further design the Variational Hypergraph Attention Networks (V-HAN) to obtain representational diversity among different entity pairs using Gaussian distribution and learn a better hypergraph structure via variational attention. VM-HAN achieves state-of-the-art performance on the multi-modal relation extraction task, outperforming existing methods in terms of accuracy and efficiency.
Abstract:Few-shot knowledge graph completion (FKGC) aims to query the unseen facts of a relation given its few-shot reference entity pairs. The side effect of noises due to the uncertainty of entities and triples may limit the few-shot learning, but existing FKGC works neglect such uncertainty, which leads them more susceptible to limited reference samples with noises. In this paper, we propose a novel uncertainty-aware few-shot KG completion framework (UFKGC) to model uncertainty for a better understanding of the limited data by learning representations under Gaussian distribution. Uncertainty representation is first designed for estimating the uncertainty scope of the entity pairs after transferring feature representations into a Gaussian distribution. Further, to better integrate the neighbors with uncertainty characteristics for entity features, we design an uncertainty-aware relational graph neural network (UR-GNN) to conduct convolution operations between the Gaussian distributions. Then, multiple random samplings are conducted for reference triples within the Gaussian distribution to generate smooth reference representations during the optimization. The final completion score for each query instance is measured by the designed uncertainty optimization to make our approach more robust to the noises in few-shot scenarios. Experimental results show that our approach achieves excellent performance on two benchmark datasets compared to its competitors.
Abstract:Dynamic Graphs widely exist in the real world, which carry complicated spatial and temporal feature patterns, challenging their representation learning. Dynamic Graph Neural Networks (DGNNs) have shown impressive predictive abilities by exploiting the intrinsic dynamics. However, DGNNs exhibit limited robustness, prone to adversarial attacks. This paper presents the novel Dynamic Graph Information Bottleneck (DGIB) framework to learn robust and discriminative representations. Leveraged by the Information Bottleneck (IB) principle, we first propose the expected optimal representations should satisfy the Minimal-Sufficient-Consensual (MSC) Condition. To compress redundant as well as conserve meritorious information into latent representation, DGIB iteratively directs and refines the structural and feature information flow passing through graph snapshots. To meet the MSC Condition, we decompose the overall IB objectives into DGIB$_{MS}$ and DGIB$_C$, in which the DGIB$_{MS}$ channel aims to learn the minimal and sufficient representations, with the DGIB$_{MS}$ channel guarantees the predictive consensus. Extensive experiments on real-world and synthetic dynamic graph datasets demonstrate the superior robustness of DGIB against adversarial attacks compared with state-of-the-art baselines in the link prediction task. To the best of our knowledge, DGIB is the first work to learn robust representations of dynamic graphs grounded in the information-theoretic IB principle.
Abstract:Self-supervised representation learning methods have achieved significant success in computer vision and natural language processing, where data samples exhibit explicit spatial or semantic dependencies. However, applying these methods to tabular data is challenging due to the less pronounced dependencies among data samples. In this paper, we address this limitation by introducing SwitchTab, a novel self-supervised method specifically designed to capture latent dependencies in tabular data. SwitchTab leverages an asymmetric encoder-decoder framework to decouple mutual and salient features among data pairs, resulting in more representative embeddings. These embeddings, in turn, contribute to better decision boundaries and lead to improved results in downstream tasks. To validate the effectiveness of SwitchTab, we conduct extensive experiments across various domains involving tabular data. The results showcase superior performance in end-to-end prediction tasks with fine-tuning. Moreover, we demonstrate that pre-trained salient embeddings can be utilized as plug-and-play features to enhance the performance of various traditional classification methods (e.g., Logistic Regression, XGBoost, etc.). Lastly, we highlight the capability of SwitchTab to create explainable representations through visualization of decoupled mutual and salient features in the latent space.
Abstract:Dynamic graph neural networks (DGNNs) are increasingly pervasive in exploiting spatio-temporal patterns on dynamic graphs. However, existing works fail to generalize under distribution shifts, which are common in real-world scenarios. As the generation of dynamic graphs is heavily influenced by latent environments, investigating their impacts on the out-of-distribution (OOD) generalization is critical. However, it remains unexplored with the following two major challenges: (1) How to properly model and infer the complex environments on dynamic graphs with distribution shifts? (2) How to discover invariant patterns given inferred spatio-temporal environments? To solve these challenges, we propose a novel Environment-Aware dynamic Graph LEarning (EAGLE) framework for OOD generalization by modeling complex coupled environments and exploiting spatio-temporal invariant patterns. Specifically, we first design the environment-aware EA-DGNN to model environments by multi-channel environments disentangling. Then, we propose an environment instantiation mechanism for environment diversification with inferred distributions. Finally, we discriminate spatio-temporal invariant patterns for out-of-distribution prediction by the invariant pattern recognition mechanism and perform fine-grained causal interventions node-wisely with a mixture of instantiated environment samples. Experiments on real-world and synthetic dynamic graph datasets demonstrate the superiority of our method against state-of-the-art baselines under distribution shifts. To the best of our knowledge, we are the first to study OOD generalization on dynamic graphs from the environment learning perspective.
Abstract:Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have attracted increasing concerns. Existing graph condensation methods primarily focus on optimizing the feature matrices of condensed graphs while overlooking the impact of the structure information from the original graphs. To investigate the impact of the structure information, we conduct analysis from the spectral domain and empirically identify substantial Laplacian Energy Distribution (LED) shifts in previous works. Such shifts lead to poor performance in cross-architecture generalization and specific tasks, including anomaly detection and link prediction. In this paper, we propose a novel Structure-broadcasting Graph Dataset Distillation (SGDD) scheme for broadcasting the original structure information to the generation of the synthetic one, which explicitly prevents overlooking the original structure information. Theoretically, the synthetic graphs by SGDD are expected to have smaller LED shifts than previous works, leading to superior performance in both cross-architecture settings and specific tasks. We validate the proposed SGDD across 9 datasets and achieve state-of-the-art results on all of them: for example, on the YelpChi dataset, our approach maintains 98.6% test accuracy of training on the original graph dataset with 1,000 times saving on the scale of the graph. Moreover, we empirically evaluate there exist 17.6% ~ 31.4% reductions in LED shift crossing 9 datasets. Extensive experiments and analysis verify the effectiveness and necessity of the proposed designs. The code is available in the GitHub repository: https://github.com/RingBDStack/SGDD.