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Shirui Pan

Publications and source records attributed to Shirui Pan.

At least 217 records · Page 12Linked to original sources
arXiv2023

Towards Complex Dynamic Physics System Simulation with Graph Neural ODEs

The great learning ability of deep learning models facilitates us to comprehend the real physical world, making learning to simulate complicated particle systems a promising endeavour. However, the complex laws of the physical world pose significant challenges to the learning based simulations, such as the varying spatial dependencies between interacting particles and varying temporal dependencies between particle system states in different time stamps, which dominate particles' interacting behaviour and the physical systems' evolution patterns. Existing learning based simulation methods fail to fully account for the complexities, making them unable to yield satisfactory simulations. To better comprehend the complex physical laws, this paper proposes a novel learning based simulation model- Graph Networks with Spatial-Temporal neural Ordinary Equations (GNSTODE)- that characterizes the varying spatial and temporal dependencies in particle systems using a united end-to-end framework. Through training with real-world particle-particle interaction observations, GNSTODE is able to simulate any possible particle systems with high precisions. We empirically evaluate GNSTODE's simulation performance on two real-world particle systems, Gravity and Coulomb, with varying levels of spatial and temporal dependencies. The results show that the proposed GNSTODE yields significantly better simulations than state-of-the-art learning based simulation methods, which proves that GNSTODE can serve as an effective solution to particle simulations in real-world application.

cs.LG↗
arXiv2023

Towards Few-shot Inductive Link Prediction on Knowledge Graphs: A Relational Anonymous Walk-guided Neural Process Approach

Few-shot inductive link prediction on knowledge graphs (KGs) aims to predict missing links for unseen entities with few-shot links observed. Previous methods are limited to transductive scenarios, where entities exist in the knowledge graphs, so they are unable to handle unseen entities. Therefore, recent inductive methods utilize the sub-graphs around unseen entities to obtain the semantics and predict links inductively. However, in the few-shot setting, the sub-graphs are often sparse and cannot provide meaningful inductive patterns. In this paper, we propose a novel relational anonymous walk-guided neural process for few-shot inductive link prediction on knowledge graphs, denoted as RawNP. Specifically, we develop a neural process-based method to model a flexible distribution over link prediction functions. This enables the model to quickly adapt to new entities and estimate the uncertainty when making predictions. To capture general inductive patterns, we present a relational anonymous walk to extract a series of relational motifs from few-shot observations. These motifs reveal the distinctive semantic patterns on KGs that support inductive predictions. Extensive experiments on typical benchmark datasets demonstrate that our model derives new state-of-the-art performance.

cs.AI↗
arXiv2023

A Survey on Neural-symbolic Learning Systems

In recent years, neural systems have demonstrated highly effective learning ability and superior perception intelligence. However, they have been found to lack effective reasoning and cognitive ability. On the other hand, symbolic systems exhibit exceptional cognitive intelligence but suffer from poor learning capabilities when compared to neural systems. Recognizing the advantages and disadvantages of both methodologies, an ideal solution emerges: combining neural systems and symbolic systems to create neural-symbolic learning systems that possess powerful perception and cognition. The purpose of this paper is to survey the advancements in neural-symbolic learning systems from four distinct perspectives: challenges, methods, applications, and future directions. By doing so, this research aims to propel this emerging field forward, offering researchers a comprehensive and holistic overview. This overview will not only highlight the current state-of-the-art but also identify promising avenues for future research.

cs.LG↗
arXiv2023

Spatio-Temporal Joint Graph Convolutional Networks for Traffic Forecasting

Recent studies have shifted their focus towards formulating traffic forecasting as a spatio-temporal graph modeling problem. Typically, they constructed a static spatial graph at each time step and then connected each node with itself between adjacent time steps to create a spatio-temporal graph. However, this approach failed to explicitly reflect the correlations between different nodes at different time steps, thus limiting the learning capability of graph neural networks. Additionally, those models overlooked the dynamic spatio-temporal correlations among nodes by using the same adjacency matrix across different time steps. To address these limitations, we propose a novel approach called Spatio-Temporal Joint Graph Convolutional Networks (STJGCN) for accurate traffic forecasting on road networks over multiple future time steps. Specifically, our method encompasses the construction of both pre-defined and adaptive spatio-temporal joint graphs (STJGs) between any two time steps, which represent comprehensive and dynamic spatio-temporal correlations. We further introduce dilated causal spatio-temporal joint graph convolution layers on the STJG to capture spatio-temporal dependencies from distinct perspectives with multiple ranges. To aggregate information from different ranges, we propose a multi-range attention mechanism. Finally, we evaluate our approach on five public traffic datasets and experimental results demonstrate that STJGCN is not only computationally efficient but also outperforms 11 state-of-the-art baseline methods.

cs.LG↗
arXiv2023

Finding the Missing-half: Graph Complementary Learning for Homophily-prone and Heterophily-prone Graphs

Real-world graphs generally have only one kind of tendency in their connections. These connections are either homophily-prone or heterophily-prone. While graphs with homophily-prone edges tend to connect nodes with the same class (i.e., intra-class nodes), heterophily-prone edges tend to build relationships between nodes with different classes (i.e., inter-class nodes). Existing GNNs only take the original graph during training. The problem with this approach is that it forgets to take into consideration the ``missing-half" structural information, that is, heterophily-prone topology for homophily-prone graphs and homophily-prone topology for heterophily-prone graphs. In our paper, we introduce Graph cOmplementAry Learning, namely GOAL, which consists of two components: graph complementation and complemented graph convolution. The first component finds the missing-half structural information for a given graph to complement it. The complemented graph has two sets of graphs including both homophily- and heterophily-prone topology. In the latter component, to handle complemented graphs, we design a new graph convolution from the perspective of optimisation. The experiment results show that GOAL consistently outperforms all baselines in eight real-world datasets.

cs.SI↗
arXiv2023

Shrinking Embeddings for Hyper-Relational Knowledge Graphs

Link prediction on knowledge graphs (KGs) has been extensively studied on binary relational KGs, wherein each fact is represented by a triple. A significant amount of important knowledge, however, is represented by hyper-relational facts where each fact is composed of a primal triple and a set of qualifiers comprising a key-value pair that allows for expressing more complicated semantics. Although some recent works have proposed to embed hyper-relational KGs, these methods fail to capture essential inference patterns of hyper-relational facts such as qualifier monotonicity, qualifier implication, and qualifier mutual exclusion, limiting their generalization capability. To unlock this, we present \emph{ShrinkE}, a geometric hyper-relational KG embedding method aiming to explicitly model these patterns. ShrinkE models the primal triple as a spatial-functional transformation from the head into a relation-specific box. Each qualifier ``shrinks'' the box to narrow down the possible answer set and, thus, realizes qualifier monotonicity. The spatial relationships between the qualifier boxes allow for modeling core inference patterns of qualifiers such as implication and mutual exclusion. Experimental results demonstrate ShrinkE's superiority on three benchmarks of hyper-relational KGs.

cs.AI↗
arXiv2023

Neighbor Contrastive Learning on Learnable Graph Augmentation

Recent years, graph contrastive learning (GCL), which aims to learn representations from unlabeled graphs, has made great progress. However, the existing GCL methods mostly adopt human-designed graph augmentations, which are sensitive to various graph datasets. In addition, the contrastive losses originally developed in computer vision have been directly applied to graph data, where the neighboring nodes are regarded as negatives and consequently pushed far apart from the anchor. However, this is contradictory with the homophily assumption of networks that connected nodes often belong to the same class and should be close to each other. In this work, we propose an end-to-end automatic GCL method, named NCLA to apply neighbor contrastive learning on learnable graph augmentation. Several graph augmented views with adaptive topology are automatically learned by the multi-head graph attention mechanism, which can be compatible with various graph datasets without prior domain knowledge. In addition, a neighbor contrastive loss is devised to allow multiple positives per anchor by taking network topology as the supervised signals. Both augmentations and embeddings are learned end-to-end in the proposed NCLA. Extensive experiments on the benchmark datasets demonstrate that NCLA yields the state-of-the-art node classification performance on self-supervised GCL and even exceeds the supervised ones, when the labels are extremely limited. Our code is released at https://github.com/shenxiaocam/NCLA.

cs.SI↗
arXiv2023

A Survey on Fairness-aware Recommender Systems

As information filtering services, recommender systems have extremely enriched our daily life by providing personalized suggestions and facilitating people in decision-making, which makes them vital and indispensable to human society in the information era. However, as people become more dependent on them, recent studies show that recommender systems potentially own unintentional impacts on society and individuals because of their unfairness (e.g., gender discrimination in job recommendations). To develop trustworthy services, it is crucial to devise fairness-aware recommender systems that can mitigate these bias issues. In this survey, we summarise existing methodologies and practices of fairness in recommender systems. Firstly, we present concepts of fairness in different recommendation scenarios, comprehensively categorize current advances, and introduce typical methods to promote fairness in different stages of recommender systems. Next, after introducing datasets and evaluation metrics applied to assess the fairness of recommender systems, we will delve into the significant influence that fairness-aware recommender systems exert on real-world industrial applications. Subsequently, we highlight the connection between fairness and other principles of trustworthy recommender systems, aiming to consider trustworthiness principles holistically while advocating for fairness. Finally, we summarize this review, spotlighting promising opportunities in comprehending concepts, frameworks, the balance between accuracy and fairness, and the ties with trustworthiness, with the ultimate goal of fostering the development of fairness-aware recommender systems.

cs.IR↗
arXiv2023

Learning Strong Graph Neural Networks with Weak Information

Graph Neural Networks (GNNs) have exhibited impressive performance in many graph learning tasks. Nevertheless, the performance of GNNs can deteriorate when the input graph data suffer from weak information, i.e., incomplete structure, incomplete features, and insufficient labels. Most prior studies, which attempt to learn from the graph data with a specific type of weak information, are far from effective in dealing with the scenario where diverse data deficiencies exist and mutually affect each other. To fill the gap, in this paper, we aim to develop an effective and principled approach to the problem of graph learning with weak information (GLWI). Based on the findings from our empirical analysis, we derive two design focal points for solving the problem of GLWI, i.e., enabling long-range propagation in GNNs and allowing information propagation to those stray nodes isolated from the largest connected component. Accordingly, we propose D$^2$PT, a dual-channel GNN framework that performs long-range information propagation not only on the input graph with incomplete structure, but also on a global graph that encodes global semantic similarities. We further develop a prototype contrastive alignment algorithm that aligns the class-level prototypes learned from two channels, such that the two different information propagation processes can mutually benefit from each other and the finally learned model can well handle the GLWI problem. Extensive experiments on eight real-world benchmark datasets demonstrate the effectiveness and efficiency of our proposed methods in various GLWI scenarios.

cs.LG↗
arXiv2023

Dual Intent Enhanced Graph Neural Network for Session-based New Item Recommendation

Recommender systems are essential to various fields, e.g., e-commerce, e-learning, and streaming media. At present, graph neural networks (GNNs) for session-based recommendations normally can only recommend items existing in users' historical sessions. As a result, these GNNs have difficulty recommending items that users have never interacted with (new items), which leads to a phenomenon of information cocoon. Therefore, it is necessary to recommend new items to users. As there is no interaction between new items and users, we cannot include new items when building session graphs for GNN session-based recommender systems. Thus, it is challenging to recommend new items for users when using GNN-based methods. We regard this challenge as '\textbf{G}NN \textbf{S}ession-based \textbf{N}ew \textbf{I}tem \textbf{R}ecommendation (GSNIR)'. To solve this problem, we propose a dual-intent enhanced graph neural network for it. Due to the fact that new items are not tied to historical sessions, the users' intent is difficult to predict. We design a dual-intent network to learn user intent from an attention mechanism and the distribution of historical data respectively, which can simulate users' decision-making process in interacting with a new item. To solve the challenge that new items cannot be learned by GNNs, inspired by zero-shot learning (ZSL), we infer the new item representation in GNN space by using their attributes. By outputting new item probabilities, which contain recommendation scores of the corresponding items, the new items with higher scores are recommended to users. Experiments on two representative real-world datasets show the superiority of our proposed method. The case study from the real-world verifies interpretability benefits brought by the dual-intent module and the new item reasoning module. The code is available at Github: https://github.com/Ee1s/NirGNN

cs.IR↗
arXiv2023

Toward the Automated Construction of Probabilistic Knowledge Graphs for the Maritime Domain

International maritime crime is becoming increasingly sophisticated, often associated with wider criminal networks. Detecting maritime threats by means of fusing data purely related to physical movement (i.e., those generated by physical sensors, or hard data) is not sufficient. This has led to research and development efforts aimed at combining hard data with other types of data (especially human-generated or soft data). Existing work often assumes that input soft data is available in a structured format, or is focused on extracting certain relevant entities or concepts to accompany or annotate hard data. Much less attention has been given to extracting the rich knowledge about the situations of interest implicitly embedded in the large amount of soft data existing in unstructured formats (such as intelligence reports and news articles). In order to exploit the potentially useful and rich information from such sources, it is necessary to extract not only the relevant entities and concepts but also their semantic relations, together with the uncertainty associated with the extracted knowledge (i.e., in the form of probabilistic knowledge graphs). This will increase the accuracy of and confidence in, the extracted knowledge and facilitate subsequent reasoning and learning. To this end, we propose Maritime DeepDive, an initial prototype for the automated construction of probabilistic knowledge graphs from natural language data for the maritime domain. In this paper, we report on the current implementation of Maritime DeepDive, together with preliminary results on extracting probabilistic events from maritime piracy incidents. This pipeline was evaluated on a manually crafted gold standard, yielding promising results.

cs.AI↗
arXiv2023

Geometric Relational Embeddings: A Survey

Geometric relational embeddings map relational data as geometric objects that combine vector information suitable for machine learning and structured/relational information for structured/relational reasoning, typically in low dimensions. Their preservation of relational structures and their appealing properties and interpretability have led to their uptake for tasks such as knowledge graph completion, ontology and hierarchy reasoning, logical query answering, and hierarchical multi-label classification. We survey methods that underly geometric relational embeddings and categorize them based on (i) the embedding geometries that are used to represent the data; and (ii) the relational reasoning tasks that they aim to improve. We identify the desired properties (i.e., inductive biases) of each kind of embedding and discuss some potential future work.

cs.AI↗
arXiv2023

Normalizing Flow-based Neural Process for Few-Shot Knowledge Graph Completion

Knowledge graphs (KGs), as a structured form of knowledge representation, have been widely applied in the real world. Recently, few-shot knowledge graph completion (FKGC), which aims to predict missing facts for unseen relations with few-shot associated facts, has attracted increasing attention from practitioners and researchers. However, existing FKGC methods are based on metric learning or meta-learning, which often suffer from the out-of-distribution and overfitting problems. Meanwhile, they are incompetent at estimating uncertainties in predictions, which is critically important as model predictions could be very unreliable in few-shot settings. Furthermore, most of them cannot handle complex relations and ignore path information in KGs, which largely limits their performance. In this paper, we propose a normalizing flow-based neural process for few-shot knowledge graph completion (NP-FKGC). Specifically, we unify normalizing flows and neural processes to model a complex distribution of KG completion functions. This offers a novel way to predict facts for few-shot relations while estimating the uncertainty. Then, we propose a stochastic ManifoldE decoder to incorporate the neural process and handle complex relations in few-shot settings. To further improve performance, we introduce an attentive relation path-based graph neural network to capture path information in KGs. Extensive experiments on three public datasets demonstrate that our method significantly outperforms the existing FKGC methods and achieves state-of-the-art performance. Code is available at https://github.com/RManLuo/NP-FKGC.git.

cs.IR↗
arXiv2023

Paraphrasing Techniques for Maritime QA system

There has been an increasing interest in incorporating Artificial Intelligence (AI) into Defence and military systems to complement and augment human intelligence and capabilities. However, much work still needs to be done toward achieving an effective human-machine partnership. This work is aimed at enhancing human-machine communications by developing a capability for automatically translating human natural language into a machine-understandable language (e.g., SQL queries). Techniques toward achieving this goal typically involve building a semantic parser trained on a very large amount of high-quality manually-annotated data. However, in many real-world Defence scenarios, it is not feasible to obtain such a large amount of training data. To the best of our knowledge, there are few works trying to explore the possibility of training a semantic parser with limited manually-paraphrased data, in other words, zero-shot. In this paper, we investigate how to exploit paraphrasing methods for the automated generation of large-scale training datasets (in the form of paraphrased utterances and their corresponding logical forms in SQL format) and present our experimental results using real-world data in the maritime domain.

cs.CL↗
arXiv2023

MAMDR: A Model Agnostic Learning Method for Multi-Domain Recommendation

Large-scale e-commercial platforms in the real-world usually contain various recommendation scenarios (domains) to meet demands of diverse customer groups. Multi-Domain Recommendation (MDR), which aims to jointly improve recommendations on all domains and easily scales to thousands of domains, has attracted increasing attention from practitioners and researchers. Existing MDR methods usually employ a shared structure and several specific components to respectively leverage reusable features and domain-specific information. However, data distribution differs across domains, making it challenging to develop a general model that can be applied to all circumstances. Additionally, during training, shared parameters often suffer from the domain conflict while specific parameters are inclined to overfitting on data sparsity domains. we first present a scalable MDR platform served in Taobao that enables to provide services for thousands of domains without specialists involved. To address the problems of MDR methods, we propose a novel model agnostic learning framework, namely MAMDR, for the multi-domain recommendation. Specifically, we first propose a Domain Negotiation (DN) strategy to alleviate the conflict between domains. Then, we develop a Domain Regularization (DR) to improve the generalizability of specific parameters by learning from other domains. We integrate these components into a unified framework and present MAMDR, which can be applied to any model structure to perform multi-domain recommendation. Finally, we present a large-scale implementation of MAMDR in the Taobao application and construct various public MDR benchmark datasets which can be used for following studies. Extensive experiments on both benchmark datasets and industry datasets demonstrate the effectiveness and generalizability of MAMDR.

cs.IR↗
arXiv2023

Auto-HeG: Automated Graph Neural Network on Heterophilic Graphs

Graph neural architecture search (NAS) has gained popularity in automatically designing powerful graph neural networks (GNNs) with relieving human efforts. However, existing graph NAS methods mainly work under the homophily assumption and overlook another important graph property, i.e., heterophily, which exists widely in various real-world applications. To date, automated heterophilic graph learning with NAS is still a research blank to be filled in. Due to the complexity and variety of heterophilic graphs, the critical challenge of heterophilic graph NAS mainly lies in developing the heterophily-specific search space and strategy. Therefore, in this paper, we propose a novel automated graph neural network on heterophilic graphs, namely Auto-HeG, to automatically build heterophilic GNN models with expressive learning abilities. Specifically, Auto-HeG incorporates heterophily into all stages of automatic heterophilic graph learning, including search space design, supernet training, and architecture selection. Through the diverse message-passing scheme with joint micro-level and macro-level designs, we first build a comprehensive heterophilic GNN search space, enabling Auto-HeG to integrate complex and various heterophily of graphs. With a progressive supernet training strategy, we dynamically shrink the initial search space according to layer-wise variation of heterophily, resulting in a compact and efficient supernet. Taking a heterophily-aware distance criterion as the guidance, we conduct heterophilic architecture selection in the leave-one-out pattern, so that specialized and expressive heterophilic GNN architectures can be derived. Extensive experiments illustrate the superiority of Auto-HeG in developing excellent heterophilic GNNs to human-designed models and graph NAS models.

cs.LG↗
arXiv2023

Projective Ranking-based GNN Evasion Attacks

Graph neural networks (GNNs) offer promising learning methods for graph-related tasks. However, GNNs are at risk of adversarial attacks. Two primary limitations of the current evasion attack methods are highlighted: (1) The current GradArgmax ignores the "long-term" benefit of the perturbation. It is faced with zero-gradient and invalid benefit estimates in certain situations. (2) In the reinforcement learning-based attack methods, the learned attack strategies might not be transferable when the attack budget changes. To this end, we first formulate the perturbation space and propose an evaluation framework and the projective ranking method. We aim to learn a powerful attack strategy then adapt it as little as possible to generate adversarial samples under dynamic budget settings. In our method, based on mutual information, we rank and assess the attack benefits of each perturbation for an effective attack strategy. By projecting the strategy, our method dramatically minimizes the cost of learning a new attack strategy when the attack budget changes. In the comparative assessment with GradArgmax and RL-S2V, the results show our method owns high attack performance and effective transferability. The visualization of our method also reveals various attack patterns in the generation of adversarial samples.

cs.LG↗
arXiv2023

VR-GNN: Variational Relation Vector Graph Neural Network for Modeling both Homophily and Heterophily

Graph Neural Networks (GNNs) have achieved remarkable success in diverse real-world applications. Traditional GNNs are designed based on homophily, which leads to poor performance under heterophily scenarios. Current solutions deal with heterophily mainly by mixing high-order neighbors or passing signed messages. However, mixing high-order neighbors destroys the original graph structure and passing signed messages utilizes an inflexible message-passing mechanism, which is prone to producing unsatisfactory effects. To overcome the above problems, we propose a novel GNN model based on relation vector translation named Variational Relation Vector Graph Neural Network (VR-GNN). VR-GNN models relation generation and graph aggregation into an end-to-end model based on Variational Auto-Encoder. The encoder utilizes the structure, feature and label to generate a proper relation vector. The decoder achieves superior node representation by incorporating the relation translation into the message-passing framework. VR-GNN can fully capture the homophily and heterophily between nodes due to the great flexibility of relation translation in modeling neighbor relationships. We conduct extensive experiments on eight real-world datasets with different homophily-heterophily properties to verify the effectiveness of our model. The experimental results show that VR-GNN gains consistent and significant improvements against state-of-the-art GNN methods under heterophily, and competitive performance under homophily.

cs.SI↗