A key challenge in graph out-of-distribution (OOD) detection lies in the absence of ground-truth OOD samples during training. Existing methods are typically optimized to capture features within the in-distribution (ID) data and calculate OOD scores, which often limits pre-trained models from representing distributional boundaries, leading to unreliable OOD detection. Moreover, the latent structure of graph data is often governed by multiple underlying factors, which remains less explored. To address these challenges, we propose a novel test-time graph OOD detection method, termed BaCa, that calibrates OOD scores using dual dynamically updated dictionaries without requiring fine-tuning the pre-trained model. Specifically, BaCa estimates graphons and applies a mix-up strategy solely with test samples to generate diverse boundary-aware discriminative topologies, eliminating the need for exposing auxiliary datasets as outliers. We construct dual dynamic dictionaries via priority queues and attention mechanisms to adaptively capture latent ID and OOD representations, which are then utilized for boundary-aware OOD score calibration. To the best of our knowledge, extensive experiments on real-world datasets show that BaCa significantly outperforms existing state-of-the-art methods in OOD detection.

With the emerging of huge amount of unlabeled data, unsupervised out-of-distribution (OOD) detection is vital for ensuring the reliability of graph neural networks (GNNs) by identifying OOD samples from in-distribution (ID) ones during testing, where encountering novel or unknown data is inevitable. Existing methods often suffer from compromised performance due to redundant information in graph structures, which impairs their ability to effectively differentiate between ID and OOD data. To address this challenge, we propose SEGO, an unsupervised framework that integrates structural entropy into OOD detection regarding graph classification. Specifically, within the architecture of contrastive learning, SEGO introduces an anchor view in the form of coding tree by minimizing structural entropy. The obtained coding tree effectively removes redundant information from graphs while preserving essential structural information, enabling the capture of distinct graph patterns between ID and OOD samples. Furthermore, we present a multi-grained contrastive learning scheme at local, global, and tree levels using triplet views, where coding trees with essential information serve as the anchor view. Extensive experiments on real-world datasets validate the effectiveness of SEGO, demonstrating superior performance over state-of-the-art baselines in OOD detection. Specifically, our method achieves the best performance on 9 out of 10 dataset pairs, with an average improvement of 3.7% on OOD detection datasets, significantly surpassing the best competitor by 10.8% on the FreeSolv/ToxCast dataset pair.

Traditional methods for detecting rumors on social media primarily focus on analyzing textual content, often struggling to capture the complexity of online interactions. Recent research has shifted towards leveraging graph neural networks to model the hierarchical conversation structure that emerges during rumor propagation. However, these methods tend to overlook the temporal aspect of rumor propagation and may disregard potential noise within the propagation structure. In this paper, we propose a novel approach that incorporates temporal information by constructing a weighted propagation tree, where the weight of each edge represents the time interval between connected posts. Drawing upon the theory of structural entropy, we transform this tree into a coding tree. This transformation aims to preserve the essential structure of rumor propagation while reducing noise. Finally, we introduce a recursive neural network to learn from the coding tree for rumor veracity prediction. Experimental results on two common datasets demonstrate the superiority of our approach.

Distributional discrepancy between training and test data can lead models to make inaccurate predictions when encountering out-of-distribution (OOD) samples in real-world applications. Although existing graph OOD detection methods leverage data-centric techniques to extract effective representations, their performance remains compromised by structural redundancy that induces semantic shifts. To address this dilemma, we propose RedOUT, an unsupervised framework that integrates structural entropy into test-time OOD detection for graph classification. Concretely, we introduce the Redundancy-aware Graph Information Bottleneck (ReGIB) and decompose the objective into essential information and irrelevant redundancy. By minimizing structural entropy, the decoupled redundancy is reduced, and theoretically grounded upper and lower bounds are proposed for optimization. Extensive experiments on real-world datasets demonstrate the superior performance of RedOUT on OOD detection. Specifically, our method achieves an average improvement of 6.7\%, significantly surpassing the best competitor by 17.3\% on the ClinTox/LIPO dataset pair.

Meta computing, as an innovative computing paradigm, aims to transform the Internet into a vast and distributed computing resource pool. This paradigm holds significant promise for the Industrial Internet of Things (IIoT), offering efficient, fault-tolerant, and personalized services while ensuring strong security and privacy. Nowadays, content delivery networks (CDNs) are integral to this vision, providing critical network support by reducing latency, alleviating network congestion, and enhancing service quality. Accurate prediction of CDN cache group performance, which involves heterogeneous edge servers handling diverse workloads, is essential for optimal resource utilization, dynamic load balancing, and efficient traffic management in IIoT. This article addresses the challenge of performance prediction in CDNs using machine learning techniques. By leveraging business request data, load information, and other relevant features, our approach aims to predict key performance indicators, such as CPU utilization, bandwidth usage, and I/O operations. We propose a comprehensive feature engineering method that aggregates input metrics across devices, categorizes business requests using clustering, and incorporates time series modeling to capture traffic patterns. Extensive experiments demonstrate the effectiveness of our approach, highlighting its potential to enhance resource management and service quality in CDNs, thereby supporting the deployment of meta computing in IIoT.

Given the pivotal role of molecular property prediction in drug development and material science, graph self-supervised learning has been implemented in molecular representation learning to compensate for the shortage of labeled molecules. However, current proposed methods often focus on designing data augmentation schemes and leveraging domain knowledge to improve performance, which inevitably leads to molecular semantics loss and limited generalization capability. To the end, we propose IPM, an Information lossless Pretraining strategy for Molecular property prediction that leverages the information of both the original graph and line graph of molecules. Specifically, by contrasting the given graph with the corresponding line graph, the graph encoder can fully learn the generic molecular semantic representation without profound domain knowledge. We also design a new message-passing scheme that retains information consistency during message passing between two kinds of graphs. Additionally, we present two graph contrastive losses for performance fixing and over-smoothing prevention during the learning process. Experimental results on multiple regression tasks for molecular property prediction demonstrate the effectiveness of IPM against state-of-the-art (SOTA) methods.

Novel Class Discovery (NCD) involves identifying new categories within unlabeled data by utilizing knowledge acquired from previously established categories. However, existing NCD methods often struggle to maintain a balance between the performance of old and new categories. Discovering unlabeled new categories in a class-incremental way is more practical but also more challenging, as it is frequently hindered by either catastrophic forgetting of old categories or an inability to learn new ones. Furthermore, the implementation of NCD on continuously scalable graph-structured data remains an under-explored area. In response to these challenges, we introduce for the first time a more practical NCD scenario for node classification (i.e., NC-NCD), and propose a novel self-training framework with prototype replay and distillation called SWORD, adopted to our NC-NCD setting. Our approach enables the model to cluster unlabeled new category nodes after learning labeled nodes while preserving performance on old categories without reliance on old category nodes. SWORD achieves this by employing a self-training strategy to learn new categories and preventing the forgetting of old categories through the joint use of feature prototypes and knowledge distillation. Extensive experiments on four common benchmarks demonstrate the superiority of SWORD over other state-of-the-art methods.

Due to the surge in mobile apps, online videos, and cloud gaming, central servers struggle with high traffic demands. Content delivery networks (CDNs) mitigate this by distributing content from edge caches, easing backbone network strain. Yet, current allocation algorithms, constrained by practical complexities and billing, often fail to optimally schedule traffic, causing server overload and increased costs. Our solution, CEQC-CDN, addresses these issues by considering DNS load balancing, regional hijacking, quality constraints, and server capacity limits. By incorporating these factors as linear constraints through binary decomposition and variable introduction, CEQC-CDN achieves global optimal traffic scheduling. Employing a greedy policy for monthly optimization, tests demonstrate an 8.57% reduction in CDN traffic costs versus conventional greedy algorithms.

He Zhu, Junran Wu, Ruomei Liu, Yue Hou, Ze Yuan, Shangzhe Li, Yicheng Pan, Ke Xu. Proceedings of the 2024 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies (Volume 1: Long Papers). 2024.