Implicit Graph Neural Diffusion Networks: Convergence, Generalization, and Over-SmoothingGuoji 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.
Understanding and Resolving Performance Degradation in Graph Convolutional NetworksKuangqi Zhou, Yanfei Dong, Kaixin Wang et al.
A Graph Convolutional Network (GCN) stacks several layers and in each layer performs a PROPagation operation (PROP) and a TRANsformation operation (TRAN) for learning node representations over graph-structured data. Though powerful, GCNs tend to suffer performance drop when the model gets deep. Previous works focus on PROPs to study and mitigate this issue, but the role of TRANs is barely investigated. In this work, we study performance degradation of GCNs by experimentally examining how stacking only TRANs or PROPs works. We find that TRANs contribute significantly, or even more than PROPs, to declining performance, and moreover that they tend to amplify node-wise feature variance in GCNs, causing variance inflammation that we identify as a key factor for causing performance drop. Motivated by such observations, we propose a variance-controlling technique termed Node Normalization (NodeNorm), which scales each node's features using its own standard deviation. Experimental results validate the effectiveness of NodeNorm on addressing performance degradation of GCNs. Specifically, it enables deep GCNs to outperform shallow ones in cases where deep models are needed, and to achieve comparable results with shallow ones on 6 benchmark datasets. NodeNorm is a generic plug-in and can well generalize to other GNN architectures. Code is publicly available at https://github.com/miafei/NodeNorm.
PF-GNN: Differentiable particle filtering based approximation of universal graph representationsMohammed Haroon Dupty, Yanfei Dong, Wee Sun Lee
Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to extract structural features from the graph. In this work, we propose to make GNNs universal by guiding the learning process with exact isomorphism solver techniques which operate on the paradigm of Individualization and Refinement (IR), a method to artificially introduce asymmetry and further refine the coloring when 1-WL stops. Isomorphism solvers generate a search tree of colorings whose leaves uniquely identify the graph. However, the tree grows exponentially large and needs hand-crafted pruning techniques which are not desirable from a learning perspective. We take a probabilistic view and approximate the search tree of colorings (i.e. embeddings) by sampling multiple paths from root to leaves of the search tree. To learn more discriminative representations, we guide the sampling process with particle filter updates, a principled approach for sequential state estimation. Our algorithm is end-to-end differentiable, can be applied with any GNN as backbone and learns richer graph representations with only linear increase in runtime. Experimental evaluation shows that our approach consistently outperforms leading GNN models on both synthetic benchmarks for isomorphism detection as well as real-world datasets.
8.7CVMar 30, 2024
Constrained Layout Generation with Factor GraphsMohammed 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.
ReClor: A Reading Comprehension Dataset Requiring Logical ReasoningWeihao Yu, Zihang Jiang, Yanfei Dong et al.
Recent powerful pre-trained language models have achieved remarkable performance on most of the popular datasets for reading comprehension. It is time to introduce more challenging datasets to push the development of this field towards more comprehensive reasoning of text. In this paper, we introduce a new Reading Comprehension dataset requiring logical reasoning (ReClor) extracted from standardized graduate admission examinations. As earlier studies suggest, human-annotated datasets usually contain biases, which are often exploited by models to achieve high accuracy without truly understanding the text. In order to comprehensively evaluate the logical reasoning ability of models on ReClor, we propose to identify biased data points and separate them into EASY set while the rest as HARD set. Empirical results show that state-of-the-art models have an outstanding ability to capture biases contained in the dataset with high accuracy on EASY set. However, they struggle on HARD set with poor performance near that of random guess, indicating more research is needed to essentially enhance the logical reasoning ability of current models.