Xin Liu

Xin Liu, Jiayang Cheng, Yangqiu Song et al.

With the development of graph kernels and graph representation learning, many superior methods have been proposed to handle scalability and oversmoothing issues on graph structure learning. However, most of those strategies are designed based on practical experience rather than theoretical analysis. In this paper, we use a particular dummy node connecting to all existing vertices without affecting original vertex and edge properties. We further prove that such the dummy node can help build an efficient monomorphic edge-to-vertex transform and an epimorphic inverse to recover the original graph back. It also indicates that adding dummy nodes can preserve local and global structures for better graph representation learning. We extend graph kernels and graph neural networks with dummy nodes and conduct experiments on graph classification and subgraph isomorphism matching tasks. Empirical results demonstrate that taking graphs with dummy nodes as input significantly boosts graph structure learning, and using their edge-to-vertex graphs can also achieve similar results. We also discuss the gain of expressive power from the dummy in neural networks.

Huiru Xiao, Xin Liu, Yangqiu Song et al.

The choice of geometric space for knowledge graph (KG) embeddings can have significant effects on the performance of KG completion tasks. The hyperbolic geometry has been shown to capture the hierarchical patterns due to its tree-like metrics, which addressed the limitations of the Euclidean embedding models. Recent explorations of the complex hyperbolic geometry further improved the hyperbolic embeddings for capturing a variety of hierarchical structures. However, the performance of the hyperbolic KG embedding models for non-transitive relations is still unpromising, while the complex hyperbolic embeddings do not deal with multi-relations. This paper aims to utilize the representation capacity of the complex hyperbolic geometry in multi-relational KG embeddings. To apply the geometric transformations which account for different relations and the attention mechanism in the complex hyperbolic space, we propose to use the fast Fourier transform (FFT) as the conversion between the real and complex hyperbolic space. Constructing the attention-based transformations in the complex space is very challenging, while the proposed Fourier transform-based complex hyperbolic approaches provide a simple and effective solution. Experimental results show that our methods outperform the baselines, including the Euclidean and the real hyperbolic embedding models.

Hejie Cui, Xinyu Fang, Zihan Zhang et al.

Images contain rich relational knowledge that can help machines understand the world. Existing methods on visual knowledge extraction often rely on the pre-defined format (e.g., sub-verb-obj tuples) or vocabulary (e.g., relation types), restricting the expressiveness of the extracted knowledge. In this work, we take a first exploration to a new paradigm of open visual knowledge extraction. To achieve this, we present OpenVik which consists of an open relational region detector to detect regions potentially containing relational knowledge and a visual knowledge generator that generates format-free knowledge by prompting the large multimodality model with the detected region of interest. We also explore two data enhancement techniques for diversifying the generated format-free visual knowledge. Extensive knowledge quality evaluations highlight the correctness and uniqueness of the extracted open visual knowledge by OpenVik. Moreover, integrating our extracted knowledge across various visual reasoning applications shows consistent improvements, indicating the real-world applicability of OpenVik.

Xin Liu, Xunbin Xiong, Mingyu Yan et al.

Large-scale graphs are ubiquitous in real-world scenarios and can be trained by Graph Neural Networks (GNNs) to generate representation for downstream tasks. Given the abundant information and complex topology of a large-scale graph, we argue that redundancy exists in such graphs and will degrade the training efficiency. Unfortunately, the model scalability severely restricts the efficiency of training large-scale graphs via vanilla GNNs. Despite recent advances in sampling-based training methods, sampling-based GNNs generally overlook the redundancy issue. It still takes intolerable time to train these models on large-scale graphs. Thereby, we propose to drop redundancy and improve efficiency of training large-scale graphs with GNNs, by rethinking the inherent characteristics in a graph. In this paper, we pioneer to propose a once-for-all method, termed DropReef, to drop the redundancy in large-scale graphs. Specifically, we first conduct preliminary experiments to explore potential redundancy in large-scale graphs. Next, we present a metric to quantify the neighbor heterophily of all nodes in a graph. Based on both experimental and theoretical analysis, we reveal the redundancy in a large-scale graph, i.e., nodes with high neighbor heterophily and a great number of neighbors. Then, we propose DropReef to detect and drop the redundancy in large-scale graphs once and for all, helping reduce the training time while ensuring no sacrifice in the model accuracy. To demonstrate the effectiveness of DropReef, we apply it to recent state-of-the-art sampling-based GNNs for training large-scale graphs, owing to the high precision of such models. With DropReef leveraged, the training efficiency of models can be greatly promoted. DropReef is highly compatible and is offline performed, benefiting the state-of-the-art sampling-based GNNs in the present and future to a significant extent.

Xin Liu, Yangqiu Song

Graph neural networks (GNNs) and message passing neural networks (MPNNs) have been proven to be expressive for subgraph structures in many applications. Some applications in heterogeneous graphs require explicit edge modeling, such as subgraph isomorphism counting and matching. However, existing message passing mechanisms are not designed well in theory. In this paper, we start from a particular edge-to-vertex transform and exploit the isomorphism property in the edge-to-vertex dual graphs. We prove that searching isomorphisms on the original graph is equivalent to searching on its dual graph. Based on this observation, we propose dual message passing neural networks (DMPNNs) to enhance the substructure representation learning in an asynchronous way for subgraph isomorphism counting and matching as well as unsupervised node classification. Extensive experiments demonstrate the robust performance of DMPNNs by combining both node and edge representation learning in synthetic and real heterogeneous graphs. Code is available at https://github.com/HKUST-KnowComp/DualMessagePassing.

Xin Liu, Qiyang Song, Qihang Zhou et al.

Large language models (LLMs) increasingly support multilingual understanding and generation. Meanwhile, efforts to interpret their internal mechanisms have emerged, offering insights to enhance multilingual performance. While multi-head self-attention (MHA) has proven critical in many areas, its role in multilingual capabilities remains underexplored. In this work, we study the contribution of MHA in supporting multilingual processing in LLMs. We propose Language Attention Head Importance Scores (LAHIS), an effective and efficient method that identifies attention head importance for multilingual capabilities via a single forward and backward pass through the LLM. Applying LAHIS to Aya-23-8B, Llama-3.2-3B, and Mistral-7B-v0.1, we reveal the existence of both language-specific and language-general heads. Language-specific heads enable cross-lingual attention transfer to guide the model toward target language contexts and mitigate off-target language generation issue, contributing to addressing challenges in multilingual LLMs. We also introduce a lightweight adaptation that learns a soft head mask to modulate attention outputs over language heads, requiring only 20 tunable parameters to improve XQuAD accuracy. Overall, our work enhances both the interpretability and multilingual capabilities of LLMs from the perspective of MHA.

Xin Liu, Ziyue Zhang, Jingxin Nie

Traditional psychological experiments utilizing naturalistic stimuli face challenges in manual annotation and ecological validity. To address this, we introduce a novel paradigm leveraging multimodal large language models (LLMs) as proxies to extract rich semantic information from naturalistic images through a Visual Question Answering (VQA) strategy for analyzing human visual semantic representation. LLM-derived representations successfully predict established neural activity patterns measured by fMRI (e.g., faces, buildings), validating its feasibility and revealing hierarchical semantic organization across cortical regions. A brain semantic network constructed from LLM-derived representations identifies meaningful clusters reflecting functional and contextual associations. This innovative methodology offers a powerful solution for investigating brain semantic organization with naturalistic stimuli, overcoming limitations of traditional annotation methods and paving the way for more ecologically valid explorations of human cognition.

Tai Hasegawa, Sukwon Yun, Xin Liu et al.

Graph Neural Networks (GNNs) have achieved notable success in various applications over graph data. However, recent research has revealed that real-world graphs often contain noise, and GNNs are susceptible to noise in the graph. To address this issue, several Graph Structure Learning (GSL) models have been introduced. While GSL models are tailored to enhance robustness against edge noise through edge reconstruction, a significant limitation surfaces: their high reliance on node features. This inherent dependence amplifies their susceptibility to noise within node features. Recognizing this vulnerability, we present DEGNN, a novel GNN model designed to adeptly mitigate noise in both edges and node features. The core idea of DEGNN is to design two separate experts: an edge expert and a node feature expert. These experts utilize self-supervised learning techniques to produce modified edges and node features. Leveraging these modified representations, DEGNN subsequently addresses downstream tasks, ensuring robustness against noise present in both edges and node features of real-world graphs. Notably, the modification process can be trained end-to-end, empowering DEGNN to adjust dynamically and achieves optimal edge and node representations for specific tasks. Comprehensive experiments demonstrate DEGNN's efficacy in managing noise, both in original real-world graphs and in graphs with synthetic noise.

Xin Liu, Mingyu Yan, Lei Deng et al.

Graph neural networks (GNNs) have been a hot spot of recent research and are widely utilized in diverse applications. However, with the use of huger data and deeper models, an urgent demand is unsurprisingly made to accelerate GNNs for more efficient execution. In this paper, we provide a comprehensive survey on acceleration methods for GNNs from an algorithmic perspective. We first present a new taxonomy to classify existing acceleration methods into five categories. Based on the classification, we systematically discuss these methods and highlight their correlations. Next, we provide comparisons from aspects of the efficiency and characteristics of these methods. Finally, we suggest some promising prospects for future research.

Sunil Kumar Maurya, Xin Liu, Tsuyoshi Murata

Graph Neural Networks have become one of the indispensable tools to learn from graph-structured data, and their usefulness has been shown in wide variety of tasks. In recent years, there have been tremendous improvements in architecture design, resulting in better performance on various prediction tasks. In general, these neural architectures combine node feature aggregation and feature transformation using learnable weight matrix in the same layer. This makes it challenging to analyze the importance of node features aggregated from various hops and the expressiveness of the neural network layers. As different graph datasets show varying levels of homophily and heterophily in features and class label distribution, it becomes essential to understand which features are important for the prediction tasks without any prior information. In this work, we decouple the node feature aggregation step and depth of graph neural network, and empirically analyze how different aggregated features play a role in prediction performance. We show that not all features generated via aggregation steps are useful, and often using these less informative features can be detrimental to the performance of the GNN model. Through our experiments, we show that learning certain subsets of these features can lead to better performance on wide variety of datasets. We propose to use softmax as a regularizer and "soft-selector" of features aggregated from neighbors at different hop distances; and L2-Normalization over GNN layers. Combining these techniques, we present a simple and shallow model, Feature Selection Graph Neural Network (FSGNN), and show empirically that the proposed model achieves comparable or even higher accuracy than state-of-the-art GNN models in nine benchmark datasets for the node classification task, with remarkable improvements up to 51.1%.

Xin Liu, Mingyu Yan, Shuhan Song et al.

Sampling is a critical operation in Graph Neural Network (GNN) training that helps reduce the cost. Previous literature has explored improving sampling algorithms via mathematical and statistical methods. However, there is a gap between sampling algorithms and hardware. Without consideration of hardware, algorithm designers merely optimize sampling at the algorithm level, missing the great potential of promoting the efficiency of existing sampling algorithms by leveraging hardware features. In this paper, we pioneer to propose a unified programming model for mainstream sampling algorithms, termed GNNSampler, covering the critical processes of sampling algorithms in various categories. Second, to leverage the hardware feature, we choose the data locality as a case study, and explore the data locality among nodes and their neighbors in a graph to alleviate irregular memory access in sampling. Third, we implement locality-aware optimizations in GNNSampler for various sampling algorithms to optimize the general sampling process. Finally, we emphatically conduct experiments on large graph datasets to analyze the relevance among training time, accuracy, and hardware-level metrics. Extensive experiments show that our method is universal to mainstream sampling algorithms and helps significantly reduce the training time, especially in large-scale graphs.

Xin Liu, Jiefu Ou, Yangqiu Song et al.

Discourse relations among arguments reveal logical structures of a debate conversation. However, no prior work has explicitly studied how the sequence of discourse relations influence a claim's impact. This paper empirically shows that the discourse relations between two arguments along the context path are essential factors for identifying the persuasive power of an argument. We further propose DisCOC to inject and fuse the sentence-level structural discourse information with contextualized features derived from large-scale language models. Experimental results and extensive analysis show that the attention and gate mechanisms that explicitly model contexts and texts can indeed help the argument impact classification task defined by Durmus et al. (2019), and discourse structures among the context path of the claim to be classified can further boost the performance.

Sunil Kumar Maurya, Xin Liu, Tsuyoshi Murata

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years, there have been tremendous improvements in the architecture design, pushing the performance up in various prediction tasks. In general, these neural architectures combine layer depth and node feature aggregation steps. This makes it challenging to analyze the importance of features at various hops and the expressiveness of the neural network layers. As different graph datasets show varying levels of homophily and heterophily in features and class label distribution, it becomes essential to understand which features are important for the prediction tasks without any prior information. In this work, we decouple the node feature aggregation step and depth of graph neural network and introduce several key design strategies for graph neural networks. More specifically, we propose to use softmax as a regularizer and "Soft-Selector" of features aggregated from neighbors at different hop distances; and "Hop-Normalization" over GNN layers. Combining these techniques, we present a simple and shallow model, Feature Selection Graph Neural Network (FSGNN), and show empirically that the proposed model outperforms other state of the art GNN models and achieves up to 64% improvements in accuracy on node classification tasks. Moreover, analyzing the learned soft-selection parameters of the model provides a simple way to study the importance of features in the prediction tasks. Finally, we demonstrate with experiments that the model is scalable for large graphs with millions of nodes and billions of edges.

Ziqian Zeng, Wenxuan Zhou, Xin Liu et al.

In this paper, we propose a variational approach to unsupervised sentiment analysis. Instead of using ground truth provided by domain experts, we use target-opinion word pairs as a supervision signal. For example, in a document snippet "the room is big," (room, big) is a target-opinion word pair. These word pairs can be extracted by using dependency parsers and simple rules. Our objective function is to predict an opinion word given a target word while our ultimate goal is to learn a sentiment classifier. By introducing a latent variable, i.e., the sentiment polarity, to the objective function, we can inject the sentiment classifier to the objective function via the evidence lower bound. We can learn a sentiment classifier by optimizing the lower bound. We also impose sophisticated constraints on opinion words as regularization which encourages that if two documents have similar (dissimilar) opinion words, the sentiment classifiers should produce similar (different) probability distribution. We apply our method to sentiment analysis on customer reviews and clinical narratives. The experiment results show our method can outperform unsupervised baselines in sentiment analysis task on both domains, and our method obtains comparable results to the supervised method with hundreds of labels per aspect in customer reviews domain, and obtains comparable results to supervised methods in clinical narratives domain.

Xin Liu, Jiefu Ou, Yangqiu Song et al.

Implicit discourse relation classification is one of the most difficult parts in shallow discourse parsing as the relation prediction without explicit connectives requires the language understanding at both the text span level and the sentence level. Previous studies mainly focus on the interactions between two arguments. We argue that a powerful contextualized representation module, a bilateral multi-perspective matching module, and a global information fusion module are all important to implicit discourse analysis. We propose a novel model to combine these modules together. Extensive experiments show that our proposed model outperforms BERT and other state-of-the-art systems on the PDTB dataset by around 8% and CoNLL 2016 datasets around 16%. We also analyze the effectiveness of different modules in the implicit discourse relation classification task and demonstrate how different levels of representation learning can affect the results.

Xin Liu, Haojie Pan, Mutian He et al.

In this paper, we study a new graph learning problem: learning to count subgraph isomorphisms. Different from other traditional graph learning problems such as node classification and link prediction, subgraph isomorphism counting is NP-complete and requires more global inference to oversee the whole graph. To make it scalable for large-scale graphs and patterns, we propose a learning framework which augments different representation learning architectures and iteratively attends pattern and target data graphs to memorize subgraph isomorphisms for the global counting. We develop both small graphs (<= 1,024 subgraph isomorphisms in each) and large graphs (<= 4,096 subgraph isomorphisms in each) sets to evaluate different models. A mutagenic compound dataset, MUTAG, is also used to evaluate neural models and demonstrate the success of transfer learning. While the learning based approach is inexact, we are able to generalize to count large patterns and data graphs in linear time compared to the exponential time of the original NP-complete problem. Experimental results show that learning based subgraph isomorphism counting can speed up the traditional algorithm, VF2, 10-1,000 times with acceptable errors. Domain adaptation based on fine-tuning also shows the usefulness of our approach in real-world applications.

Hongming Zhang, Xin Liu, Haojie Pan et al.

Understanding human's language requires complex world knowledge. However, existing large-scale knowledge graphs mainly focus on knowledge about entities while ignoring knowledge about activities, states, or events, which are used to describe how entities or things act in the real world. To fill this gap, we develop ASER (activities, states, events, and their relations), a large-scale eventuality knowledge graph extracted from more than 11-billion-token unstructured textual data. ASER contains 15 relation types belonging to five categories, 194-million unique eventualities, and 64-million unique edges among them. Both intrinsic and extrinsic evaluations demonstrate the quality and effectiveness of ASER.

Huiru Xiao, Xin Liu, Yangqiu Song

Hierarchical text classification has many real-world applications. However, labeling a large number of documents is costly. In practice, we can use semi-supervised learning or weakly supervised learning (e.g., dataless classification) to reduce the labeling cost. In this paper, we propose a path cost-sensitive learning algorithm to utilize the structural information and further make use of unlabeled and weakly-labeled data. We use a generative model to leverage the large amount of unlabeled data and introduce path constraints into the learning algorithm to incorporate the structural information of the class hierarchy. The posterior probabilities of both unlabeled and weakly labeled data can be incorporated with path-dependent scores. Since we put a structure-sensitive cost to the learning algorithm to constrain the classification consistent with the class hierarchy and do not need to reconstruct the feature vectors for different structures, we can significantly reduce the computational cost compared to structural output learning. Experimental results on two hierarchical text classification benchmarks show that our approach is not only effective but also efficient to handle the semi-supervised and weakly supervised hierarchical text classification.