Bowen Du

Ke Cheng, Linzhi Peng, Pengyang Wang et al.

Knowledge Tracing aims to assess student learning states by predicting their performance in answering questions. Different from the existing research which utilizes fixed-length learning sequence to obtain the student states and regards KT as a static problem, this work is motivated by three dynamical characteristics: 1) The scales of students answering records are constantly growing; 2) The semantics of time intervals between the records vary; 3) The relationships between students, questions and concepts are evolving. The three dynamical characteristics above contain the great potential to revolutionize the existing knowledge tracing methods. Along this line, we propose a Dynamic Graph-based Knowledge Tracing model, namely DyGKT. In particular, a continuous-time dynamic question-answering graph for knowledge tracing is constructed to deal with the infinitely growing answering behaviors, and it is worth mentioning that it is the first time dynamic graph learning technology is used in this field. Then, a dual time encoder is proposed to capture long-term and short-term semantics among the different time intervals. Finally, a multiset indicator is utilized to model the evolving relationships between students, questions, and concepts via the graph structural feature. Numerous experiments are conducted on five real-world datasets, and the results demonstrate the superiority of our model. All the used resources are publicly available at https://github.com/PengLinzhi/DyGKT.

Ke Cheng, Linzhi Peng, Junchen Ye et al.

Structure encoding has proven to be the key feature to distinguishing links in a graph. However, Structure encoding in the temporal graph keeps changing as the graph evolves, repeatedly computing such features can be time-consuming due to the high-order subgraph construction. We develop the Co-Neighbor Encoding Schema (CNES) to address this issue. Instead of recomputing the feature by the link, CNES stores information in the memory to avoid redundant calculations. Besides, unlike the existing memory-based dynamic graph learning method that stores node hidden states, we introduce a hashtable-based memory to compress the adjacency matrix for efficient structure feature construction and updating with vector computation in parallel. Furthermore, CNES introduces a Temporal-Diverse Memory to generate long-term and short-term structure encoding for neighbors with different structural information. A dynamic graph learning framework, Co-Neighbor Encoding Network (CNE-N), is proposed using the aforementioned techniques. Extensive experiments on thirteen public datasets verify the effectiveness and efficiency of the proposed method.

Tao Zou, Le Yu, Junchen Ye et al.

Patent classification aims to assign multiple International Patent Classification (IPC) codes to a given patent. Recent methods for automatically classifying patents mainly focus on analyzing the text descriptions of patents. However, apart from the texts, each patent is also associated with some assignees, and the knowledge of their applied patents is often valuable for classification. Furthermore, the hierarchical taxonomy formulated by the IPC system provides important contextual information and enables models to leverage the correlations between IPC codes for more accurate classification. However, existing methods fail to incorporate the above aspects. In this paper, we propose an integrated framework that comprehensively considers the information on patents for patent classification. To be specific, we first present an IPC codes correlations learning module to derive their semantic representations via adaptively passing and aggregating messages within the same level and across different levels along the hierarchical taxonomy. Moreover, we design a historical application patterns learning component to incorporate the corresponding assignee's previous patents by a dual channel aggregation mechanism. Finally, we combine the contextual information of patent texts that contains the semantics of IPC codes, and assignees' sequential preferences to make predictions. Experiments on real-world datasets demonstrate the superiority of our approach over the existing methods. Besides, we present the model's ability to capture the temporal patterns of assignees and the semantic dependencies among IPC codes.

Tao Zou, Le Yu, Leilei Sun et al.

Accurate prediction of what types of patents that companies will apply for in the next period of time can figure out their development strategies and help them discover potential partners or competitors in advance. Although important, this problem has been rarely studied in previous research due to the challenges in modelling companies' continuously evolving preferences and capturing the semantic correlations of classification codes. To fill in this gap, we propose an event-based dynamic graph learning framework for patent application trend prediction. In particular, our method is founded on the memorable representations of both companies and patent classification codes. When a new patent is observed, the representations of the related companies and classification codes are updated according to the historical memories and the currently encoded messages. Moreover, a hierarchical message passing mechanism is provided to capture the semantic proximities of patent classification codes by updating their representations along the hierarchical taxonomy. Finally, the patent application trend is predicted by aggregating the representations of the target company and classification codes from static, dynamic, and hierarchical perspectives. Experiments on real-world data demonstrate the effectiveness of our approach under various experimental conditions, and also reveal the abilities of our method in learning semantics of classification codes and tracking technology developing trajectories of companies.

Mingxuan Xie, Tao Zou, Junchen Ye et al.

Passenger behavior prediction aims to track passenger travel patterns through historical boarding and alighting data, enabling the analysis of urban station passenger flow and timely risk management. This is crucial for smart city development and public transportation planning. Existing research primarily relies on statistical methods and sequential models to learn from individual historical interactions, which ignores the correlations between passengers and stations. To address these issues, this paper proposes DyGPP, which leverages dynamic graphs to capture the intricate evolution of passenger behavior. First, we formalize passengers and stations as heterogeneous vertices in a dynamic graph, with connections between vertices representing interactions between passengers and stations. Then, we sample the historical interaction sequences for passengers and stations separately. We capture the temporal patterns from individual sequences and correlate the temporal behavior between the two sequences. Finally, we use an MLP-based encoder to learn the temporal patterns in the interactions and generate real-time representations of passengers and stations. Experiments on real-world datasets confirmed that DyGPP outperformed current models in the behavior prediction task, demonstrating the superiority of our model.

Han Huang, Leilei Sun, Bowen Du et al.

Designing new molecules is essential for drug discovery and material science. Recently, deep generative models that aim to model molecule distribution have made promising progress in narrowing down the chemical research space and generating high-fidelity molecules. However, current generative models only focus on modeling either 2D bonding graphs or 3D geometries, which are two complementary descriptors for molecules. The lack of ability to jointly model both limits the improvement of generation quality and further downstream applications. In this paper, we propose a new joint 2D and 3D diffusion model (JODO) that generates complete molecules with atom types, formal charges, bond information, and 3D coordinates. To capture the correlation between molecular graphs and geometries in the diffusion process, we develop a Diffusion Graph Transformer to parameterize the data prediction model that recovers the original data from noisy data. The Diffusion Graph Transformer interacts node and edge representations based on our relational attention mechanism, while simultaneously propagating and updating scalar features and geometric vectors. Our model can also be extended for inverse molecular design targeting single or multiple quantum properties. In our comprehensive evaluation pipeline for unconditional joint generation, the results of the experiment show that JODO remarkably outperforms the baselines on the QM9 and GEOM-Drugs datasets. Furthermore, our model excels in few-step fast sampling, as well as in inverse molecule design and molecular graph generation. Our code is provided in https://github.com/GRAPH-0/JODO.

Lingbo Liu, Jiajie Zhen, Guanbin Li et al.

As a crucial component in intelligent transportation systems, traffic flow prediction has recently attracted widespread research interest in the field of artificial intelligence (AI) with the increasing availability of massive traffic mobility data. Its key challenge lies in how to integrate diverse factors (such as temporal rules and spatial dependencies) to infer the evolution trend of traffic flow. To address this problem, we propose a unified neural network called Attentive Traffic Flow Machine (ATFM), which can effectively learn the spatial-temporal feature representations of traffic flow with an attention mechanism. In particular, our ATFM is composed of two progressive Convolutional Long Short-Term Memory (ConvLSTM \cite{xingjian2015convolutional}) units connected with a convolutional layer. Specifically, the first ConvLSTM unit takes normal traffic flow features as input and generates a hidden state at each time-step, which is further fed into the connected convolutional layer for spatial attention map inference. The second ConvLSTM unit aims at learning the dynamic spatial-temporal representations from the attentionally weighted traffic flow features. Further, we develop two deep learning frameworks based on ATFM to predict citywide short-term/long-term traffic flow by adaptively incorporating the sequential and periodic data as well as other external influences. Extensive experiments on two standard benchmarks well demonstrate the superiority of the proposed method for traffic flow prediction. Moreover, to verify the generalization of our method, we also apply the customized framework to forecast the passenger pickup/dropoff demands in traffic prediction and show its superior performance. Our code and data are available at {\color{blue}\url{https://github.com/liulingbo918/ATFM}}.

Tao Zou, Chengfeng Wu, Tianxi Liao et al.

Dynamic graph learning plays a pivotal role in modeling evolving relationships over time, especially for temporal link prediction tasks in domains such as traffic systems, social networks, and recommendation platforms. While Transformer-based models have demonstrated strong performance by capturing long-range temporal dependencies, their reliance on self-attention results in quadratic complexity with respect to sequence length, limiting scalability on high-frequency or large-scale graphs. In this work, we revisit the necessity of self-attention in dynamic graph modeling. Inspired by recent findings that attribute the success of Transformers more to their architectural design than attention itself, we propose GLFormer, a novel attention-free Transformer-style framework for dynamic graphs. GLFormer introduces an adaptive token mixer that performs context-aware local aggregation based on interaction order and time intervals. To capture long-term dependencies, we further design a hierarchical aggregation module that expands the temporal receptive field by stacking local token mixers across layers. Experiments on six widely-used dynamic graph benchmarks show that GLFormer achieves SOTA performance, which reveals that attention-free architectures can match or surpass Transformer baselines in dynamic graph settings with significantly improved efficiency.

Xuyan Tan, Yuhang Wang, Bowen Du et al.

Mechanical analysis for the full face of tunnel structure is crucial to maintain stability, which is a challenge in classical analytical solutions and data analysis. Along this line, this study aims to develop a spatial deduction model to obtain the full-faced mechanical behaviors through integrating mechanical properties into pure data-driven model. The spatial tunnel structure is divided into many parts and reconstructed in a form of matrix. Then, the external load applied on structure in the field was considered to study the mechanical behaviors of tunnel. Based on the limited observed monitoring data in matrix and mechanical analysis results, a double-driven model was developed to obtain the full-faced information, in which the data-driven model was the dominant one and the mechanical constraint was the secondary one. To verify the presented spatial deduction model, cross-test was conducted through assuming partial monitoring data are unknown and regarding them as testing points. The well agreement between deduction results with actual monitoring results means the proposed model is reasonable. Therefore, it was employed to deduct both the current and historical performance of tunnel full face, which is crucial to prevent structural disasters.

Le Yu, Leilei Sun, Bowen Du et al.

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are primarily developed by following the propagation mechanism of node representations. There are few efforts on studying the role of relations for improving the learning of more fine-grained node representations. Indeed, it is important to collaboratively learn the semantic representations of relations and discern node representations with respect to different relation types. To this end, in this paper, we propose a novel Relation-aware Heterogeneous Graph Neural Network, namely R-HGNN, to learn node representations on heterogeneous graphs at a fine-grained level by considering relation-aware characteristics. Specifically, a dedicated graph convolution component is first designed to learn unique node representations from each relation-specific graph separately. Then, a cross-relation message passing module is developed to improve the interactions of node representations across different relations. Also, the relation representations are learned in a layer-wise manner to capture relation semantics, which are used to guide the node representation learning process. Moreover, a semantic fusing module is presented to aggregate relation-aware node representations into a compact representation with the learned relation representations. Finally, we conduct extensive experiments on a variety of graph learning tasks, and experimental results demonstrate that our approach consistently outperforms existing methods among all the tasks.

Le Yu, Leilei Sun, Bowen Du et al.

Heterogeneous graphs are pervasive in practical scenarios, where each graph consists of multiple types of nodes and edges. Representation learning on heterogeneous graphs aims to obtain low-dimensional node representations that could preserve both node attributes and relation information. However, most of the existing graph convolution approaches were designed for homogeneous graphs, and therefore cannot handle heterogeneous graphs. Some recent methods designed for heterogeneous graphs are also faced with several issues, including the insufficient utilization of heterogeneous properties, structural information loss, and lack of interpretability. In this paper, we propose HGConv, a novel Heterogeneous Graph Convolution approach, to learn comprehensive node representations on heterogeneous graphs with a hybrid micro/macro level convolutional operation. Different from existing methods, HGConv could perform convolutions on the intrinsic structure of heterogeneous graphs directly at both micro and macro levels: A micro-level convolution to learn the importance of nodes within the same relation, and a macro-level convolution to distinguish the subtle difference across different relations. The hybrid strategy enables HGConv to fully leverage heterogeneous information with proper interpretability. Moreover, a weighted residual connection is designed to aggregate both inherent attributes and neighbor information of the focal node adaptively. Extensive experiments on various tasks demonstrate not only the superiority of HGConv over existing methods, but also the intuitive interpretability of our approach for graph analysis.

Junchen Ye, Leilei Sun, Bowen Du et al.

Graph Convolutional Network (GCN) has been widely applied in transportation demand prediction due to its excellent ability to capture non-Euclidean spatial dependence among station-level or regional transportation demands. However, in most of the existing research, the graph convolution was implemented on a heuristically generated adjacency matrix, which could neither reflect the real spatial relationships of stations accurately, nor capture the multi-level spatial dependence of demands adaptively. To cope with the above problems, this paper provides a novel graph convolutional network for transportation demand prediction. Firstly, a novel graph convolution architecture is proposed, which has different adjacency matrices in different layers and all the adjacency matrices are self-learned during the training process. Secondly, a layer-wise coupling mechanism is provided, which associates the upper-level adjacency matrix with the lower-level one. It also reduces the scale of parameters in our model. Lastly, a unitary network is constructed to give the final prediction result by integrating the hidden spatial states with gated recurrent unit, which could capture the multi-level spatial dependence and temporal dynamics simultaneously. Experiments have been conducted on two real-world datasets, NYC Citi Bike and NYC Taxi, and the results demonstrate the superiority of our model over the state-of-the-art ones.

Le Yu, Leilei Sun, Bowen Du et al.

Given a sequence of sets, where each set contains an arbitrary number of elements, the problem of temporal sets prediction aims to predict the elements in the subsequent set. In practice, temporal sets prediction is much more complex than predictive modelling of temporal events and time series, and is still an open problem. Many possible existing methods, if adapted for the problem of temporal sets prediction, usually follow a two-step strategy by first projecting temporal sets into latent representations and then learning a predictive model with the latent representations. The two-step approach often leads to information loss and unsatisfactory prediction performance. In this paper, we propose an integrated solution based on the deep neural networks for temporal sets prediction. A unique perspective of our approach is to learn element relationship by constructing set-level co-occurrence graph and then perform graph convolutions on the dynamic relationship graphs. Moreover, we design an attention-based module to adaptively learn the temporal dependency of elements and sets. Finally, we provide a gated updating mechanism to find the hidden shared patterns in different sequences and fuse both static and dynamic information to improve the prediction performance. Experiments on real-world data sets demonstrate that our approach can achieve competitive performances even with a portion of the training data and can outperform existing methods with a significant margin.

Man Luo, Hongkai Wen, Yi Luo et al.

Electric Vehicle (EV) sharing systems have recently experienced unprecedented growth across the globe. Many car sharing service providers as well as automobile manufacturers are entering this competition by expanding both their EV fleets and renting/returning station networks, aiming to seize a share of the market and bring car sharing to the zero emissions level. During their fast expansion, one fundamental determinant for success is the capability of dynamically predicting the demand of stations. In this paper we propose a novel demand prediction approach, which is able to model the dynamics of the system and predict demand accordingly. We use a local temporal encoding process to handle the available historical data at individual stations, and a spatial encoding process to take correlations between stations into account with graph convolutional neural networks. The encoded features are fed to a prediction network, which forecasts both the long-term expected demand of the stations. We evaluate the proposed approach on real-world data collected from a major EV sharing platform. Experimental results demonstrate that our approach significantly outperforms the state of the art.

Lingbo Liu, Ruimao Zhang, Jiefeng Peng et al.

Traffic flow prediction is crucial for urban traffic management and public safety. Its key challenges lie in how to adaptively integrate the various factors that affect the flow changes. In this paper, we propose a unified neural network module to address this problem, called Attentive Crowd Flow Machine~(ACFM), which is able to infer the evolution of the crowd flow by learning dynamic representations of temporally-varying data with an attention mechanism. Specifically, the ACFM is composed of two progressive ConvLSTM units connected with a convolutional layer for spatial weight prediction. The first LSTM takes the sequential flow density representation as input and generates a hidden state at each time-step for attention map inference, while the second LSTM aims at learning the effective spatial-temporal feature expression from attentionally weighted crowd flow features. Based on the ACFM, we further build a deep architecture with the application to citywide crowd flow prediction, which naturally incorporates the sequential and periodic data as well as other external influences. Extensive experiments on two standard benchmarks (i.e., crowd flow in Beijing and New York City) show that the proposed method achieves significant improvements over the state-of-the-art methods.

Chuanqi Tan, Furu Wei, Nan Yang et al.

In this paper, we present a novel approach to machine reading comprehension for the MS-MARCO dataset. Unlike the SQuAD dataset that aims to answer a question with exact text spans in a passage, the MS-MARCO dataset defines the task as answering a question from multiple passages and the words in the answer are not necessary in the passages. We therefore develop an extraction-then-synthesis framework to synthesize answers from extraction results. Specifically, the answer extraction model is first employed to predict the most important sub-spans from the passage as evidence, and the answer synthesis model takes the evidence as additional features along with the question and passage to further elaborate the final answers. We build the answer extraction model with state-of-the-art neural networks for single passage reading comprehension, and propose an additional task of passage ranking to help answer extraction in multiple passages. The answer synthesis model is based on the sequence-to-sequence neural networks with extracted evidences as features. Experiments show that our extraction-then-synthesis method outperforms state-of-the-art methods.