DTGB: A Comprehensive Benchmark for Dynamic Text-Attributed Graphs

Dynamic text-attributed graphs (DyTAGs) are prevalent in various real-world scenarios, where each node and edge are associated with text descriptions, and both the graph structure and text descriptions evolve over time. Despite their broad applicability, there is a notable scarcity of benchmark datasets tailored to DyTAGs, which hinders the potential advancement in many research fields. To address this gap, we introduce Dynamic Text-attributed Graph Benchmark (DTGB), a collection of large-scale, time-evolving graphs from diverse domains, with nodes and edges enriched by dynamically changing text attributes and categories. To facilitate the use of DTGB, we design standardized evaluation procedures based on four real-world use cases: future link prediction, destination node retrieval, edge classification, and textual relation generation. These tasks require models to understand both dynamic graph structures and natural language, highlighting the unique challenges posed by DyTAGs. Moreover, we conduct extensive benchmark experiments on DTGB, evaluating 7 popular dynamic graph learning algorithms and their variants of adapting to text attributes with LLM embeddings, along with 6 powerful large language models (LLMs). Our results show the limitations of existing models in handling DyTAGs. Our analysis also demonstrates the utility of DTGB in investigating the incorporation of structural and textual dynamics. The proposed DTGB fosters research on DyTAGs and their broad applications. It offers a comprehensive benchmark for evaluating and advancing models to handle the interplay between dynamic graph structures and natural language. The dataset and source code are available at https://github.com/zjs123/DTGB.

From Similarity to Superiority: Channel Clustering for Time Series Forecasting

Time series forecasting has attracted significant attention in recent decades. Previous studies have demonstrated that the Channel-Independent (CI) strategy improves forecasting performance by treating different channels individually, while it leads to poor generalization on unseen instances and ignores potentially necessary interactions between channels. Conversely, the Channel-Dependent (CD) strategy mixes all channels with even irrelevant and indiscriminate information, which, however, results in oversmoothing issues and limits forecasting accuracy. There is a lack of channel strategy that effectively balances individual channel treatment for improved forecasting performance without overlooking essential interactions between channels. Motivated by our observation of a correlation between the time series model's performance boost against channel mixing and the intrinsic similarity on a pair of channels, we developed a novel and adaptable Channel Clustering Module (CCM). CCM dynamically groups channels characterized by intrinsic similarities and leverages cluster identity instead of channel identity, combining the best of CD and CI worlds. Extensive experiments on real-world datasets demonstrate that CCM can (1) boost the performance of CI and CD models by an average margin of 2.4% and 7.2% on long-term and short-term forecasting, respectively; (2) enable zero-shot forecasting with mainstream time series forecasting models; (3) uncover intrinsic time series patterns among channels and improve interpretability of complex time series models.

Qubit-Wise Architecture Search Method for Variational Quantum Circuits

Considering the noise level limit, one crucial aspect for quantum machine learning is to design a high-performing variational quantum circuit architecture with small number of quantum gates. As the classical neural architecture search (NAS), quantum architecture search methods (QAS) employ methods like reinforcement learning, evolutionary algorithms and supernet optimiza-tion to improve the search efficiency. In this paper, we propose a novel qubit-wise architec-ture search (QWAS) method, which progres-sively search one-qubit configuration per stage, and combine with Monte Carlo Tree Search al-gorithm to find good quantum architectures by partitioning the search space into several good and bad subregions. The numerical experimental results indicate that our proposed method can balance the exploration and exploitation of cir-cuit performance and size in some real-world tasks, such as MNIST, Fashion and MOSI. As far as we know, QWAS achieves the state-of-art re-sults of all tasks in the terms of accuracy and circuit size.

Efficient High-Resolution Time Series Classification via Attention Kronecker Decomposition

The high-resolution time series classification problem is essential due to the increasing availability of detailed temporal data in various domains. To tackle this challenge effectively, it is imperative that the state-of-the-art attention model is scalable to accommodate the growing sequence lengths typically encountered in high-resolution time series data, while also demonstrating robustness in handling the inherent noise prevalent in such datasets. To address this, we propose to hierarchically encode the long time series into multiple levels based on the interaction ranges. By capturing relationships at different levels, we can build more robust, expressive, and efficient models that are capable of capturing both short-term fluctuations and long-term trends in the data. We then propose a new time series transformer backbone (KronTime) by introducing Kronecker-decomposed attention to process such multi-level time series, which sequentially calculates attention from the lower level to the upper level. Experiments on four long time series datasets demonstrate superior classification results with improved efficiency compared to baseline methods.

Dirichlet Energy Enhancement of Graph Neural Networks by Framelet Augmentation

Graph convolutions have been a pivotal element in learning graph representations. However, recursively aggregating neighboring information with graph convolutions leads to indistinguishable node features in deep layers, which is known as the over-smoothing issue. The performance of graph neural networks decays fast as the number of stacked layers increases, and the Dirichlet energy associated with the graph decreases to zero as well. In this work, we introduce a framelet system into the analysis of Dirichlet energy and take a multi-scale perspective to leverage the Dirichlet energy and alleviate the over-smoothing issue. Specifically, we develop a Framelet Augmentation strategy by adjusting the update rules with positive and negative increments for low-pass and high-passes respectively. Based on that, we design the Energy Enhanced Convolution (EEConv), which is an effective and practical operation that is proved to strictly enhance Dirichlet energy. From a message-passing perspective, EEConv inherits multi-hop aggregation property from the framelet transform and takes into account all hops in the multi-scale representation, which benefits the node classification tasks over heterophilous graphs. Experiments show that deep GNNs with EEConv achieve state-of-the-art performance over various node classification datasets, especially for heterophilous graphs, while also lifting the Dirichlet energy as the network goes deeper.

Generative Explanations for Graph Neural Network: Methods and Evaluations

Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to uncover the decision-making logic of GNNs, by generating underlying explanatory substructures. In this paper, we conduct a comprehensive review of the existing explanation methods for GNNs from the perspective of graph generation. Specifically, we propose a unified optimization objective for generative explanation methods, comprising two sub-objectives: Attribution and Information constraints. We further demonstrate their specific manifestations in various generative model architectures and different explanation scenarios. With the unified objective of the explanation problem, we reveal the shared characteristics and distinctions among current methods, laying the foundation for future methodological advancements. Empirical results demonstrate the advantages and limitations of different explainability approaches in terms of explanation performance, efficiency, and generalizability.

TempME: Towards the Explainability of Temporal Graph Neural Networks via Motif Discovery

Temporal graphs are widely used to model dynamic systems with time-varying interactions. In real-world scenarios, the underlying mechanisms of generating future interactions in dynamic systems are typically governed by a set of recurring substructures within the graph, known as temporal motifs. Despite the success and prevalence of current temporal graph neural networks (TGNN), it remains uncertain which temporal motifs are recognized as the significant indications that trigger a certain prediction from the model, which is a critical challenge for advancing the explainability and trustworthiness of current TGNNs. To address this challenge, we propose a novel approach, called Temporal Motifs Explainer (TempME), which uncovers the most pivotal temporal motifs guiding the prediction of TGNNs. Derived from the information bottleneck principle, TempME extracts the most interaction-related motifs while minimizing the amount of contained information to preserve the sparsity and succinctness of the explanation. Events in the explanations generated by TempME are verified to be more spatiotemporally correlated than those of existing approaches, providing more understandable insights. Extensive experiments validate the superiority of TempME, with up to 8.21% increase in terms of explanation accuracy across six real-world datasets and up to 22.96% increase in boosting the prediction Average Precision of current TGNNs.

D4Explainer: In-Distribution GNN Explanations via Discrete Denoising Diffusion

The widespread deployment of Graph Neural Networks (GNNs) sparks significant interest in their explainability, which plays a vital role in model auditing and ensuring trustworthy graph learning. The objective of GNN explainability is to discern the underlying graph structures that have the most significant impact on model predictions. Ensuring that explanations generated are reliable necessitates consideration of the in-distribution property, particularly due to the vulnerability of GNNs to out-of-distribution data. Unfortunately, prevailing explainability methods tend to constrain the generated explanations to the structure of the original graph, thereby downplaying the significance of the in-distribution property and resulting in explanations that lack reliability. To address these challenges, we propose D4Explainer, a novel approach that provides in-distribution GNN explanations for both counterfactual and model-level explanation scenarios. The proposed D4Explainer incorporates generative graph distribution learning into the optimization objective, which accomplishes two goals: 1) generate a collection of diverse counterfactual graphs that conform to the in-distribution property for a given instance, and 2) identify the most discriminative graph patterns that contribute to a specific class prediction, thus serving as model-level explanations. It is worth mentioning that D4Explainer is the first unified framework that combines both counterfactual and model-level explanations. Empirical evaluations conducted on synthetic and real-world datasets provide compelling evidence of the state-of-the-art performance achieved by D4Explainer in terms of explanation accuracy, faithfulness, diversity, and robustness.

Modeling Hierarchical Reasoning Chains by Linking Discourse Units and Key Phrases for Reading Comprehension

Machine reading comprehension (MRC) poses new challenges over logical reasoning, which aims to understand the implicit logical relations entailed in the given contexts and perform inference over them. Due to the complexity of logic, logical relations exist at different granularity levels. However, most existing methods of logical reasoning individually focus on either entity-aware or discourse-based information but ignore the hierarchical relations that may even have mutual effects. In this paper, we propose a holistic graph network (HGN) which deals with context at both discourse level and word level, as the basis for logical reasoning, to provide a more fine-grained relation extraction. Specifically, node-level and type-level relations, which can be interpreted as bridges in the reasoning process, are modeled by a hierarchical interaction mechanism to improve the interpretation of MRC systems. Experimental results on logical reasoning QA datasets (ReClor and LogiQA) and natural language inference datasets (SNLI and ANLI) show the effectiveness and generalization of our method, and in-depth analysis verifies its capability to understand complex logical relations.

Approximate Equivariance SO(3) Needlet Convolution

This paper develops a rotation-invariant needlet convolution for rotation group SO(3) to distill multiscale information of spherical signals. The spherical needlet transform is generalized from $\mathbb{S}^2$ onto the SO(3) group, which decomposes a spherical signal to approximate and detailed spectral coefficients by a set of tight framelet operators. The spherical signal during the decomposition and reconstruction achieves rotation invariance. Based on needlet transforms, we form a Needlet approximate Equivariance Spherical CNN (NES) with multiple SO(3) needlet convolutional layers. The network establishes a powerful tool to extract geometric-invariant features of spherical signals. The model allows sufficient network scalability with multi-resolution representation. A robust signal embedding is learned with wavelet shrinkage activation function, which filters out redundant high-pass representation while maintaining approximate rotation invariance. The NES achieves state-of-the-art performance for quantum chemistry regression and Cosmic Microwave Background (CMB) delensing reconstruction, which shows great potential for solving scientific challenges with high-resolution and multi-scale spherical signal representation.