Zhiqiang He

Lanning Wei, Huan Zhao, Xiaohan Zheng et al. · tsinghua

Designing versatile graph learning approaches is important, considering the diverse graphs and tasks existing in real-world applications. Existing methods have attempted to achieve this target through automated machine learning techniques, pre-training and fine-tuning strategies, and large language models. However, these methods are not versatile enough for graph learning, as they work on either limited types of graphs or a single task. In this paper, we propose to explore versatile graph learning approaches with LLM-based agents, and the key insight is customizing the graph learning procedures for diverse graphs and tasks. To achieve this, we develop several LLM-based agents, equipped with diverse profiles, tools, functions and human experience. They collaborate to configure each procedure with task and data-specific settings step by step towards versatile solutions, and the proposed method is dubbed GL-Agent. By evaluating on diverse tasks and graphs, the correct results of the agent and its comparable performance showcase the versatility of the proposed method, especially in complex scenarios.The low resource cost and the potential to use open-source LLMs highlight the efficiency of GL-Agent.

Lanning Wei, Zhiqiang He, Huan Zhao et al. · tsinghua

In recent years, Graph Neural Networks (GNNs) have been popular in the graph classification task. Currently, shallow GNNs are more common due to the well-known over-smoothing problem facing deeper GNNs. However, they are sub-optimal without utilizing the information from distant nodes, i.e., the long-range dependencies. The mainstream methods in the graph classification task can extract the long-range dependencies either by designing the pooling operations or incorporating the higher-order neighbors, while they have evident drawbacks by modifying the original graph structure, which may result in information loss in graph structure learning. In this paper, by justifying the smaller influence of the over-smoothing problem in the graph classification task, we evoke the importance of stacking-based GNNs and then employ them to capture the long-range dependencies without modifying the original graph structure. To achieve this, two design needs are given for stacking-based GNNs, i.e., sufficient model depth and adaptive skip-connection schemes. By transforming the two design needs into designing data-specific inter-layer connections, we propose a novel approach with the help of neural architecture search (NAS), which is dubbed LRGNN (Long-Range Graph Neural Networks). Extensive experiments on five datasets show that the proposed LRGNN can achieve the best performance, and obtained data-specific GNNs with different depth and skip-connection schemes, which can better capture the long-range dependencies.

Lanning Wei, Zhiqiang He, Huan Zhao et al. · tsinghua

In recent years, Graph Neural Networks (GNNs) have been popular in graph representation learning which assumes the homophily property, i.e., the connected nodes have the same label or have similar features. However, they may fail to generalize into the heterophilous graphs which in the low/medium level of homophily. Existing methods tend to address this problem by enhancing the intra-class information extraction, i.e., either by designing better GNNs to improve the model effectiveness, or re-designing the graph structures to incorporate more potential intra-class nodes from distant hops. Despite the success, we observe two aspects that can be further improved: (a) enhancing the ego feature information extraction from node itself which is more reliable in extracting the intra-class information; (b) designing node-wise GNNs can better adapt to the nodes with different homophily ratios. In this paper, we propose a novel method IIE-GNN (Intra-class Information Enhanced Graph Neural Networks) to achieve two improvements. A unified framework is proposed based on the literature, in which the intra-class information from the node itself and neighbors can be extracted based on seven carefully designed blocks. With the help of neural architecture search (NAS), we propose a novel search space based on the framework, and then provide an architecture predictor to design GNNs for each node. We further conduct experiments to show that IIE-GNN can improve the model performance by designing node-wise GNNs to enhance intra-class information extraction.

Feng Hou, Yao Zhang, Yang Liu et al.

Due to domain shift, deep neural networks (DNNs) usually fail to generalize well on unknown test data in practice. Domain generalization (DG) aims to overcome this issue by capturing domain-invariant representations from source domains. Motivated by the insight that only partial parameters of DNNs are optimized to extract domain-invariant representations, we expect a general model that is capable of well perceiving and emphatically updating such domain-invariant parameters. In this paper, we propose two modules of Domain Decoupling and Combination (DDC) and Domain-invariance-guided Backpropagation (DIGB), which can encourage such general model to focus on the parameters that have a unified optimization direction between pairs of contrastive samples. Our extensive experiments on two benchmarks have demonstrated that our proposed method has achieved state-of-the-art performance with strong generalization capability.

Lanning Wei, Huan Zhao, Zhiqiang He

In recent years, Graph Neural Networks (GNNs) have shown superior performance on diverse applications on real-world datasets. To improve the model capacity and alleviate the over-smoothing problem, several methods proposed to incorporate the intermediate layers by layer-wise connections. However, due to the highly diverse graph types, the performance of existing methods vary on diverse graphs, leading to a need for data-specific layer-wise connection methods. To address this problem, we propose a novel framework LLC (Learn Layer-wise Connections) based on neural architecture search (NAS) to learn adaptive connections among intermediate layers in GNNs. LLC contains one novel search space which consists of 3 types of blocks and learnable connections, and one differentiable search algorithm to enable the efficient search process. Extensive experiments on five real-world datasets are conducted, and the results show that the searched layer-wise connections can not only improve the performance but also alleviate the over-smoothing problem.