Guoji Fu

Bingzhe Wu, Jintang Li, Junchi Yu et al.

Deep graph learning has achieved remarkable progresses in both business and scientific areas ranging from finance and e-commerce, to drug and advanced material discovery. Despite these progresses, how to ensure various deep graph learning algorithms behave in a socially responsible manner and meet regulatory compliance requirements becomes an emerging problem, especially in risk-sensitive domains. Trustworthy graph learning (TwGL) aims to solve the above problems from a technical viewpoint. In contrast to conventional graph learning research which mainly cares about model performance, TwGL considers various reliability and safety aspects of the graph learning framework including but not limited to robustness, explainability, and privacy. In this survey, we provide a comprehensive review of recent leading approaches in the TwGL field from three dimensions, namely, reliability, explainability, and privacy protection. We give a general categorization for existing work and review typical work for each category. To give further insights for TwGL research, we provide a unified view to inspect previous works and build the connection between them. We also point out some important open problems remaining to be solved in the future developments of TwGL.

Huaisheng Zhu, Guoji Fu, Zhimeng Guo et al.

Graph Neural Networks (GNNs) have shown great power in various domains. However, their predictions may inherit societal biases on sensitive attributes, limiting their adoption in real-world applications. Although many efforts have been taken for fair GNNs, most existing works just adopt widely used fairness techniques in machine learning to graph domains and ignore or don't have a thorough understanding of the message passing mechanism with fairness constraints, which is a distinctive feature of GNNs. To fill the gap, we propose a novel fairness-aware message passing framework GMMD, which is derived from an optimization problem that considers both graph smoothness and representation fairness. GMMD can be intuitively interpreted as encouraging a node to aggregate representations of other nodes from different sensitive groups while subtracting representations of other nodes from the same sensitive group, resulting in fair representations. We also provide a theoretical analysis to justify that GMMD can guarantee fairness, which leads to a simpler and theory-guided variant GMMD-S. Extensive experiments on graph benchmarks show that our proposed framework can significantly improve the fairness of various backbone GNN models while maintaining high accuracy.

Guoji Fu, Taiji Suzuki, Wee Sun Lee et al.

Score-based generative models are trained in high-dimensional ambient spaces, yet many data distributions are supported on low-dimensional nonlinear structures. We prove that, for compact $d$-dimensional smooth manifolds $\mathcal{M} \subset [0,1]^D$ with $d > 2$ and $β$-Hölder densities strictly positive on $\mathcal{M}$, a variance-preserving SGM estimator attains the intrinsic Wasserstein--1 sample exponent $\tilde{\mathcal{O}}(D^{\mathcal{O}_β(d)}n^{-(β+1)/(d+2β)})$, up to logarithmic factors and explicit geometry and density factors. The full nonasymptotic bound explicitly isolates the finite-order geometry envelope, Hölder radius, density lower bound, ambient dependence, and finite-order correction terms. The analysis separates score approximation into a large-noise tangent-cell regime and a small-noise projection-centered, de-Gaussianized Laplace regime. The key technical ingredient is a ReLU implementation of nearest-projection coordinates via finite intrinsic anchors and Gauss--Newton iterations, rather than approximating the manifold projection as a black-box high-dimensional smooth map. Consequently, for families with polynomially controlled geometry and density lower bounds, the constructed score-network parameters have polynomial ambient dependence.

Guoji Fu, Mohammed Haroon Dupty, Yanfei Dong et al.

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience over-smoothing issues, or exhibit suboptimal convergence and generalization properties, potentially hindering their practical performance. To tackle these issues, we introduce a geometric framework for designing implicit graph diffusion layers based on a parameterized graph Laplacian operator. Our framework allows learning the metrics of vertex and edge spaces, as well as the graph diffusion strength from data. We show how implicit GNN layers can be viewed as the fixed-point equation of a Dirichlet energy minimization problem and give conditions under which it may suffer from over-smoothing during training (OST) and inference (OSI). We further propose a new implicit GNN model to avoid OST and OSI. We establish that with an appropriately chosen hyperparameter greater than the largest eigenvalue of the parameterized graph Laplacian, DIGNN guarantees a unique equilibrium, quick convergence, and strong generalization bounds. Our models demonstrate better performance than most implicit and explicit GNN baselines on benchmark datasets for both node and graph classification tasks.

Guoji Fu, Yifan Hou, Jian Zhang et al.

Graph neural networks (GNNs) have attracted much attention because of their excellent performance on tasks such as node classification. However, there is inadequate understanding on how and why GNNs work, especially for node representation learning. This paper aims to provide a theoretical framework to understand GNNs, specifically, spectral graph convolutional networks and graph attention networks, from graph signal denoising perspectives. Our framework shows that GNNs are implicitly solving graph signal denoising problems: spectral graph convolutions work as denoising node features, while graph attentions work as denoising edge weights. We also show that a linear self-attention mechanism is able to compete with the state-of-the-art graph attention methods. Our theoretical results further lead to two new models, GSDN-F and GSDN-EF, which work effectively for graphs with noisy node features and/or noisy edges. We validate our theoretical findings and also the effectiveness of our new models by experiments on benchmark datasets. The source code is available at \url{https://github.com/fuguoji/GSDN}.

Mohammed Haroon Dupty, Yanfei Dong, Sicong Leng et al.

This paper addresses the challenge of object-centric layout generation under spatial constraints, seen in multiple domains including floorplan design process. The design process typically involves specifying a set of spatial constraints that include object attributes like size and inter-object relations such as relative positioning. Existing works, which typically represent objects as single nodes, lack the granularity to accurately model complex interactions between objects. For instance, often only certain parts of an object, like a room's right wall, interact with adjacent objects. To address this gap, we introduce a factor graph based approach with four latent variable nodes for each room, and a factor node for each constraint. The factor nodes represent dependencies among the variables to which they are connected, effectively capturing constraints that are potentially of a higher order. We then develop message-passing on the bipartite graph, forming a factor graph neural network that is trained to produce a floorplan that aligns with the desired requirements. Our approach is simple and generates layouts faithful to the user requirements, demonstrated by a large improvement in IOU scores over existing methods. Additionally, our approach, being inferential and accurate, is well-suited to the practical human-in-the-loop design process where specifications evolve iteratively, offering a practical and powerful tool for AI-guided design.

Zichen Liu, Guoji Fu, Chao Du et al.

Continual reinforcement learning (CRL) refers to a naturalistic setting where an agent needs to endlessly evolve, by trial and error, to solve multiple tasks that are presented sequentially. One of the largest obstacles to CRL is that the agent may forget how to solve previous tasks when learning a new task, known as catastrophic forgetting. In this paper, we propose to address this challenge by planning with online world models. Specifically, we learn a Follow-The-Leader shallow model online to capture the world dynamics, in which we plan using model predictive control to solve a set of tasks specified by any reward functions. The online world model is immune to forgetting by construction with a proven regret bound of $\mathcal{O}(\sqrt{K^2D\log(T)})$ under mild assumptions. The planner searches actions solely based on the latest online model, thus forming a FTL Online Agent (OA) that updates incrementally. To assess OA, we further design Continual Bench, a dedicated environment for CRL, and compare with several strong baselines under the same model-planning algorithmic framework. The empirical results show that OA learns continuously to solve new tasks while not forgetting old skills, outperforming agents built on deep world models with various continual learning techniques.

Haozhe Ma, Guoji Fu, Zhengding Luo et al.

We introduce Random Reward Perturbation (RRP), a novel exploration strategy for reinforcement learning (RL). Our theoretical analyses demonstrate that adding zero-mean noise to environmental rewards effectively enhances policy diversity during training, thereby expanding the range of exploration. RRP is fully compatible with the action-perturbation-based exploration strategies, such as $ε$-greedy, stochastic policies, and entropy regularization, providing additive improvements to exploration effects. It is general, lightweight, and can be integrated into existing RL algorithms with minimal implementation effort and negligible computational overhead. RRP establishes a theoretical connection between reward shaping and noise-driven exploration, highlighting their complementary potential. Experiments show that RRP significantly boosts the performance of Proximal Policy Optimization and Soft Actor-Critic, achieving higher sample efficiency and escaping local optima across various tasks, under both sparse and dense reward scenarios.

Jiayin Zhu, Guoji Fu, Xiaolu Liu et al.

Image-to-3D generation faces inherent semantic ambiguity under occlusion, where partial observation alone is often insufficient to determine object category. In this work, we formalize text-driven amodal 3D generation, where text prompts steer the completion of unseen regions while strictly preserving input observation. Crucially, we identify that these objectives demand distinct control granularities: rigid control for the observation versus relaxed structural control for the prompt. To this end, we propose RelaxFlow, a training-free dual-branch framework that decouples control granularity via a Multi-Prior Consensus Module and a Relaxation Mechanism. Theoretically, we prove that our relaxation is equivalent to applying a low-pass filter on the generative vector field, which suppresses high-frequency instance details to isolate geometric structure that accommodates the observation. To facilitate evaluation, we introduce two diagnostic benchmarks, ExtremeOcc-3D and AmbiSem-3D. Extensive experiments demonstrate that RelaxFlow successfully steers the generation of unseen regions to match the prompt intent without compromising visual fidelity.

Yuanfeng Ji, Yatao Bian, Guoji Fu et al.

The regulation of various cellular processes heavily relies on the protein complexes within a living cell, necessitating a comprehensive understanding of their three-dimensional structures to elucidate the underlying mechanisms. While neural docking techniques have exhibited promising outcomes in binary protein docking, the application of advanced neural architectures to multimeric protein docking remains uncertain. This study introduces SyNDock, an automated framework that swiftly assembles precise multimeric complexes within seconds, showcasing performance that can potentially surpass or be on par with recent advanced approaches. SyNDock possesses several appealing advantages not present in previous approaches. Firstly, SyNDock formulates multimeric protein docking as a problem of learning global transformations to holistically depict the placement of chain units of a complex, enabling a learning-centric solution. Secondly, SyNDock proposes a trainable two-step SE(3) algorithm, involving initial pairwise transformation and confidence estimation, followed by global transformation synchronization. This enables effective learning for assembling the complex in a globally consistent manner. Lastly, extensive experiments conducted on our proposed benchmark dataset demonstrate that SyNDock outperforms existing docking software in crucial performance metrics, including accuracy and runtime. For instance, it achieves a 4.5% improvement in performance and a remarkable millionfold acceleration in speed.

Jintang Li, Bingzhe Wu, Chengbin Hou et al.

Deep graph learning (DGL) has achieved remarkable progress in both business and scientific areas ranging from finance and e-commerce to drug and advanced material discovery. Despite the progress, applying DGL to real-world applications faces a series of reliability threats including inherent noise, distribution shift, and adversarial attacks. This survey aims to provide a comprehensive review of recent advances for improving the reliability of DGL algorithms against the above threats. In contrast to prior related surveys which mainly focus on adversarial attacks and defense, our survey covers more reliability-related aspects of DGL, i.e., inherent noise and distribution shift. Additionally, we discuss the relationships among above aspects and highlight some important issues to be explored in future research.

Yifan Hou, Guoji Fu, Mrinmaya Sachan

Pretrained language models (LMs) do not capture factual knowledge very well. This has led to the development of a number of knowledge integration (KI) methods which aim to incorporate external knowledge into pretrained LMs. Even though KI methods show some performance gains over vanilla LMs, the inner-workings of these methods are not well-understood. For instance, it is unclear how and what kind of knowledge is effectively integrated into these models and if such integration may lead to catastrophic forgetting of already learned knowledge. This paper revisits the KI process in these models with an information-theoretic view and shows that KI can be interpreted using a graph convolution operation. We propose a probe model called \textit{Graph Convolution Simulator} (GCS) for interpreting knowledge-enhanced LMs and exposing what kind of knowledge is integrated into these models. We conduct experiments to verify that our GCS can indeed be used to correctly interpret the KI process, and we use it to analyze two well-known knowledge-enhanced LMs: ERNIE and K-Adapter, and find that only a small amount of factual knowledge is integrated in them. We stratify knowledge in terms of various relation types and find that ERNIE and K-Adapter integrate different kinds of knowledge to different extent. Our analysis also shows that simply increasing the size of the KI corpus may not lead to better KI; fundamental advances may be needed.

Guoji Fu, Peilin Zhao, Yatao Bian

Graph neural networks (GNNs) have demonstrated superior performance for semi-supervised node classification on graphs, as a result of their ability to exploit node features and topological information simultaneously. However, most GNNs implicitly assume that the labels of nodes and their neighbors in a graph are the same or consistent, which does not hold in heterophilic graphs, where the labels of linked nodes are likely to differ. Hence, when the topology is non-informative for label prediction, ordinary GNNs may work significantly worse than simply applying multi-layer perceptrons (MLPs) on each node. To tackle the above problem, we propose a new $p$-Laplacian based GNN model, termed as $^p$GNN, whose message passing mechanism is derived from a discrete regularization framework and could be theoretically explained as an approximation of a polynomial graph filter defined on the spectral domain of $p$-Laplacians. The spectral analysis shows that the new message passing mechanism works simultaneously as low-pass and high-pass filters, thus making $^p$GNNs are effective on both homophilic and heterophilic graphs. Empirical studies on real-world and synthetic datasets validate our findings and demonstrate that $^p$GNNs significantly outperform several state-of-the-art GNN architectures on heterophilic benchmarks while achieving competitive performance on homophilic benchmarks. Moreover, $^p$GNNs can adaptively learn aggregation weights and are robust to noisy edges.

Chengbin Hou, Guoji Fu, Peng Yang et al.

Dynamic Network Embedding (DNE) has recently attracted considerable attention due to the advantage of network embedding in various fields and the dynamic nature of many real-world networks. An input dynamic network to DNE is often assumed to have smooth changes over snapshots, which however would not hold for all real-world scenarios. It is natural to ask if existing DNE methods can perform well for an input dynamic network without smooth changes. To quantify it, an index called Degree of Changes (DoCs) is suggested so that the smaller DoCs indicates the smoother changes. Our comparative study shows several DNE methods are not robust enough to different DoCs even if the corresponding input dynamic networks come from the same dataset, which would make these methods unreliable and hard to use for unknown real-world applications. To propose an effective and more robust DNE method, we follow the notion of ensembles where each base learner adopts an incremental Skip-Gram embedding model. To further boost the performance, a simple yet effective strategy is designed to enhance the diversity among base learners at each timestep by capturing different levels of local-global topology. Extensive experiments demonstrate the superior effectiveness and robustness of the proposed method compared to state-of-the-art DNE methods, as well as the benefits of special designs in the proposed method and its scalability.

Guoji Fu, Chengbin Hou, Xin Yao

The topological information is essential for studying the relationship between nodes in a network. Recently, Network Representation Learning (NRL), which projects a network into a low-dimensional vector space, has been shown their advantages in analyzing large-scale networks. However, most existing NRL methods are designed to preserve the local topology of a network, they fail to capture the global topology. To tackle this issue, we propose a new NRL framework, named HSRL, to help existing NRL methods capture both the local and global topological information of a network. Specifically, HSRL recursively compresses an input network into a series of smaller networks using a community-awareness compressing strategy. Then, an existing NRL method is used to learn node embeddings for each compressed network. Finally, the node embeddings of the input network are obtained by concatenating the node embeddings from all compressed networks. Empirical studies for link prediction on five real-world datasets demonstrate the advantages of HSRL over state-of-the-art methods.

Guoji Fu, Bo Yuan, Qiqi Duan et al.

Network representation learning (NRL) has been widely used to help analyze large-scale networks through mapping original networks into a low-dimensional vector space. However, existing NRL methods ignore the impact of properties of relations on the object relevance in heterogeneous information networks (HINs). To tackle this issue, this paper proposes a new NRL framework, called Event2vec, for HINs to consider both quantities and properties of relations during the representation learning process. Specifically, an event (i.e., a complete semantic unit) is used to represent the relation among multiple objects, and both event-driven first-order and second-order proximities are defined to measure the object relevance according to the quantities and properties of relations. We theoretically prove how event-driven proximities can be preserved in the embedding space by Event2vec, which utilizes event embeddings to facilitate learning the object embeddings. Experimental studies demonstrate the advantages of Event2vec over state-of-the-art algorithms on four real-world datasets and three network analysis tasks (including network reconstruction, link prediction, and node classification).