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Calibrating graph neural networks (GNNs) in the presence of out-of-distribution (OOD) nodes is challenging because messages propagated from OOD neighbors can distort both the predictions and confidence estimates of in-distribution (ID) nodes. Existing graph calibration methods primarily adjust model outputs through node-wise temperature scaling or reweight edges according to general predictive importance and homophily. However, they do not directly account for the adverse effects of ID–OOD connections and may therefore preserve or even amplify misleading information propagated from OOD nodes. Inspired by the ability of graph structure learning to filter noisy topological information, we empirically observe that downweighting edges between ID and OOD nodes can substantially improve calibration. Identifying these edges and assigning appropriate weights is challenging because the identities of OOD nodes are unknown. To address this challenge, we propose Graph Calibration via Structure Optimization (GCSO), a novel framework for calibrating GNNs in the presence of OOD nodes. GCSO introduces an iterative edge-sampling mechanism to capture graph topological information and formulates adaptive structure optimization as a Markov Decision Process (MDP). An actor-critic policy then dynamically adjusts edge weights based on their effects on target-node predictions. We further design a tailored calibration-aware reward to guide the policy toward an adaptive graph structure that suppresses harmful OOD information propagation. Moreover, the optimized graph structure can be seamlessly integrated with existing temperature-scaling methods for further calibration improvements. Experiments on benchmark datasets demonstrate that GCSO significantly reduces expected calibration error while maintaining competitive classification accuracy. The source code is available at https://github.com/DamoSWL/GCSO. 

Uncovering causal structures from observational data is crucial for understanding complex systems and making informed decisions. While reinforcement learning (RL) has shown promise in identifying these structures in the form of a directed acyclic graph (DAG), existing methods often lack efficiency, making them unsuitable for online applications. In this paper, we propose MARLIN, an efficient multi-agent RL-based approach for incremental DAG learning. MARLIN uses a DAG generation policy that maps a continuous real-valued space to the DAG space as an intra-batch strategy, then incorporates two RL agents—state-specific and state-invariant—to uncover causal relationships and integrates these agents into an incremental learning framework. Furthermore, the framework leverages a factored action space to enhance parallelization efficiency. Extensive experiments on synthetic and real datasets demonstrate that MARLIN outperforms state-of-the-art methods in terms of both efficiency and effectiveness. 

Change point detection aims to identify abrupt shifts occurring at multiple points within a data sequence. This task becomes particularly challenging in the online setting, where different types of changes can occur, including shifts in both the marginal and joint distributions of the data. In this paper, we address these challenges by tracking the Riemannian geometry of correlation matrices, allowing Riemannian metrics to compute the geodesic distance as an accurate measure of correlation dynamics. We introduce Rio-CPD, a non-parametric, correlation-aware online change point detection framework that integrates the Riemannian geometry of the manifold of symmetric positive definite matrices with the cumulative sum (CUSUM) statistic for detecting change points. Rio-CPD employs a novel CUSUM design by computing the geodesic distance between current observations and the Fréchet mean of prior observations. With appropriate choices of Riemannian metrics, Rio-CPD offers a simple yet effective and computationally efficient algorithm. Experimental results on both synthetic and real-world datasets demonstrate that Rio-CPD outperforms existing methods on detection accuracy, average detection delay and efficiency. 

Graph Neural Networks (GNNs) resurge as a trending research subject owing to their impressive ability to capture representations from graph-structured data. However, the black-box nature of GNNs presents a significant challenge in terms of comprehending and trusting these models, thereby limiting their practical applications in mission-critical scenarios. Although there has been substantial progress in the field of explaining GNNs in recent years, the majority of these studies are centered on static graphs, leaving the explanation of dynamic GNNs less explored. Dynamic GNNs, with their ever-evolving graph structures, pose a unique challenge and require additional efforts to effectively capture temporal dependencies and structural relationships. To address this challenge, we present DyExplainer, a novel approach to explaining dynamic GNNs on the fly. DyExplainer trains a dynamic GNN backbone to extract representations of the graph at each snapshot, while simultaneously exploring structural relationships and temporal dependencies through a sparse attention technique. To preserve the desired properties of the explanation, such as structural consistency and temporal continuity, we augment our approach with contrastive learning techniques to providea priori-guided regularization. To model longer-term temporal dependencies, we develop a buffer-based live-updating scheme for training. The results of our extensive experiments on various datasets demonstrate the superiority of DyExplainer, not only providing faithful explainability of the model predictions but also significantly improving the model prediction accuracy, as evidenced in the link prediction task. 

Feature transformation aims to reconstruct the feature space of raw features to enhance the performance of downstream models. However, the exponential growth in the combinations of features and operations poses a challenge, making it difficult for existing methods to efficiently explore a wide space. Additionally, their optimization is solely driven by the accuracy of downstream models in specific domains, neglecting the acquisition of general feature knowledge. To fill this research gap, we propose an evolutionary LLM framework for automated feature transformation. This framework consists of two parts: 1) constructing a multi-population database through an RL data collector while utilizing evolutionary algorithm strategies for database maintenance, and 2) utilizing the ability of Large Language Model (LLM) in sequence understanding, we employ few-shot prompts to guide LLM in generating superior samples based on feature transformation sequence distinction. Leveraging the multi-population database initially provides a wide search scope to discover excellent populations. Through culling and evolution, high-quality populations are given greater opportunities, thereby furthering the pursuit of optimal individuals. By integrating LLMs with evolutionary algorithms, we achieve efficient exploration within a vast space, while harnessing feature knowledge to propel optimization, thus realizing a more adaptable search paradigm. Finally, we empirically demonstrate the effectiveness and generality of our proposed method.