Recent research has increasingly utilized policy gradient methods, a class of reinforcement learning algorithms, to optimize continuous-variable diffusion models for downstream objectives, which is also crucial in domains like graph generation. However, these approaches fail when applied directly to graph generation with discrete diffusion models. The primary challenge arises from the fact that directly applying such optimization complicates the denoising strategy of the models, leading to highly erratic and random outputs. To address this issue, we propose denoising trajectory complexity regularization (DTCR), a novel method that regularizes the optimization process of graph diffusion models and allows a simpler and more effective denoising strategy. Experimental results demonstrate that our method significantly improves prior approaches in multiple downstream task-specific objectives.

Model stealing (MS) involves querying and observing the output of a machine learning model to steal its capabilities. The quality of queried data is crucial, yet obtaining a large amount of real data for MS is often challenging. Recent works have reduced reliance on real data by using generative models. However, when high-dimensional query data is required, these methods are impractical due to the high costs of querying and the risk of model collapse. In this work, we propose using sample gradients (SG) to enhance the utility of each real sample, as SG provides crucial guidance on the decision boundaries of the victim model. However, utilizing SG in the model stealing scenario faces two challenges: 1. Pixel-level gradient estimation requires ex-tensive query volume and is susceptible to defenses. 2. The estimation of sample gradients has a significant variance. This paper proposes Superpixel Sample Gradient stealing (SPSG) for model stealing under the constraint of limited real samples. With the basic idea of imitating the victim model's low-variance patch-level gradients instead ofpixel-level gradients, SPSG achieves efficient sample gradient es-timation through two steps. First, we perform patch-wise perturbations on query images to estimate the average gradient in different regions of the image. Then, we filter the gradients through a threshold strategy to reduce variance. Exhaustive experiments demonstrate that, with the same number of real samples, SPSG achieves accuracy, agreements, and adversarial success rate significantly surpassing the current state-of-the-art MS methods. Codes are available at https://github.com/zyI123456aBISPSG_attack.

Recent research has made significant progress in optimizing diffusion models for downstream objectives, which is an important pursuit in fields such as graph generation for drug design. However, directly applying these models to graph presents challenges, resulting in suboptimal performance. This paper introduces graph diffusion policy optimization (GDPO), a novel approach to optimize graph diffusion models for arbitrary (e.g., non-differentiable) objectives using reinforcement learning. GDPO is based on an eager policy gradient tailored for graph diffusion models, developed through meticulous analysis and promising improved performance. Experimental results show that GDPO achieves state-of-the-art performance in various graph generation tasks with complex and diverse objectives. Code is available at https://github.com/sail-sg/GDPO.

This paper presents GraphFederator, a novel approach to construct federated representations of multi-party graphs and supports privacy-preserving visual analysis of graphs. Inspired by the concept of federated learning, we reformulate the analysis of multi-party graphs into a decentralization process. The new federation framework consists of a shared module that is responsible for federated modeling and analysis, and a set of local modules that run on respective graph data. Specifically, we propose a Federated Graph Representation Model (FGRM) that is learned from encrypted characteristics of multi-party graphs in local modules. We also design multiple visualization tools for federated visualization, exploration, and analysis of multi-party graphs. Experimental results on two datasets demonstrate the effectiveness of our approach.

Modeling multivariate time series (MTS) is critical in modern intelligent systems. The accurate forecast of MTS data is still challenging due to the complicated latent variable correlation. Recent works apply the Graph Neural Networks (GNNs) to the task, with the basic idea of representing the correlation as a static graph. However, predicting with a static graph causes significant bias because the correlation is time-varying in the real-world MTS data. Besides, there is no gap analysis between the actual correlation and the learned one in their works to validate the effectiveness. This paper proposes a temporal polynomial graph neural network (TPGNN) for accurate MTS forecasting, which represents the dynamic variable correlation as a temporal matrix polynomial in two steps. First, we capture the overall correlation with a static matrix basis. Then, we use a set of time-varying coefficients and the matrix basis to construct a matrix polynomial for each time step. The constructed result empirically captures the precise dynamic correlation of six synthetic MTS datasets generated by a non-repeating random walk model. Moreover, the theoretical analysis shows that TPGNN can achieve perfect approximation under a commutative condition. We conduct extensive experiments on two traffic datasets with prior structure and four benchmark datasets. The results indicate that TPGNN achieves the state-of-the-art on both short-term and long-term MTS forecastings.

Distributed processing and analysis of large-scale graph data remain challenging because of the high-level discrepancy among graphs. This study investigates a novel subproblem: the distributed multi-task learning on the graph, which jointly learns multiple analysis tasks from decentralized graphs. We propose a federated multi-task graph learning (FMTGL) framework to solve the problem within a privacy-preserving and scalable scheme. Its core is an innovative data-fusion mechanism and a low-latency distributed optimization method. The former captures multi-source data relatedness and generates universal task representation for local task analysis. The latter enables the quick update of our framework with gradients sparsification and tree-based aggregation. As a theoretical result, the proposed optimization method has a convergence rate interpolates between \( \mathcal {O}(1/T) \) and \( \mathcal {O}(1/\sqrt {T}) \) , up to logarithmic terms. Unlike previous studies, our work analyzes the convergence behavior with adaptive stepsize selection and non-convex assumption. Experimental results on three graph datasets verify the effectiveness and scalability of FMTGL.