Weifeng Lv

Le Yu, Leilei Sun, Bowen Du et al.

We propose DyGFormer, a new Transformer-based architecture for dynamic graph learning. DyGFormer is conceptually simple and only needs to learn from nodes' historical first-hop interactions by: (1) a neighbor co-occurrence encoding scheme that explores the correlations of the source node and destination node based on their historical sequences; (2) a patching technique that divides each sequence into multiple patches and feeds them to Transformer, allowing the model to effectively and efficiently benefit from longer histories. We also introduce DyGLib, a unified library with standard training pipelines, extensible coding interfaces, and comprehensive evaluating protocols to promote reproducible, scalable, and credible dynamic graph learning research. By performing exhaustive experiments on thirteen datasets for dynamic link prediction and dynamic node classification tasks, we find that DyGFormer achieves state-of-the-art performance on most of the datasets, demonstrating its effectiveness in capturing nodes' correlations and long-term temporal dependencies. Moreover, some results of baselines are inconsistent with previous reports, which may be caused by their diverse but less rigorous implementations, showing the importance of DyGLib. All the used resources are publicly available at https://github.com/yule-BUAA/DyGLib.

Han Huang, Leilei Sun, Bowen Du et al.

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel molecular graphs remain crucial and challenging goals. To accomplish these goals, we propose a novel Conditional Diffusion model based on discrete Graph Structures (CDGS) for molecular graph generation. Specifically, we construct a forward graph diffusion process on both graph structures and inherent features through stochastic differential equations (SDE) and derive discrete graph structures as the condition for reverse generative processes. We present a specialized hybrid graph noise prediction model that extracts the global context and the local node-edge dependency from intermediate graph states. We further utilize ordinary differential equation (ODE) solvers for efficient graph sampling, based on the semi-linear structure of the probability flow ODE. Experiments on diverse datasets validate the effectiveness of our framework. Particularly, the proposed method still generates high-quality molecular graphs in a limited number of steps. Our code is provided in https://github.com/GRAPH-0/CDGS.

Han Huang, Leilei Sun, Bowen Du et al.

Graph generative models have broad applications in biology, chemistry and social science. However, modelling and understanding the generative process of graphs is challenging due to the discrete and high-dimensional nature of graphs, as well as permutation invariance to node orderings in underlying graph distributions. Current leading autoregressive models fail to capture the permutation invariance nature of graphs for the reliance on generation ordering and have high time complexity. Here, we propose a continuous-time generative diffusion process for permutation invariant graph generation to mitigate these issues. Specifically, we first construct a forward diffusion process defined by a stochastic differential equation (SDE), which smoothly converts graphs within the complex distribution to random graphs that follow a known edge probability. Solving the corresponding reverse-time SDE, graphs can be generated from newly sampled random graphs. To facilitate the reverse-time SDE, we newly design a position-enhanced graph score network, capturing the evolving structure and position information from perturbed graphs for permutation equivariant score estimation. Under the evaluation of comprehensive metrics, our proposed generative diffusion process achieves competitive performance in graph distribution learning. Experimental results also show that GraphGDP can generate high-quality graphs in only 24 function evaluations, much faster than previous autoregressive models.

Liangzhe Han, Xiaojian Ma, Leilei Sun et al.

Traffic demand forecasting by deep neural networks has attracted widespread interest in both academia and industry society. Among them, the pairwise Origin-Destination (OD) demand prediction is a valuable but challenging problem due to several factors: (i) the large number of possible OD pairs, (ii) implicitness of spatial dependence, and (iii) complexity of traffic states. To address the above issues, this paper proposes a Continuous-time and Multi-level dynamic graph representation learning method for Origin-Destination demand prediction (CMOD). Firstly, a continuous-time dynamic graph representation learning framework is constructed, which maintains a dynamic state vector for each traffic node (metro stations or taxi zones). The state vectors keep historical transaction information and are continuously updated according to the most recently happened transactions. Secondly, a multi-level structure learning module is proposed to model the spatial dependency of station-level nodes. It can not only exploit relations between nodes adaptively from data, but also share messages and representations via cluster-level and area-level virtual nodes. Lastly, a cross-level fusion module is designed to integrate multi-level memories and generate comprehensive node representations for the final prediction. Extensive experiments are conducted on two real-world datasets from Beijing Subway and New York Taxi, and the results demonstrate the superiority of our model against the state-of-the-art approaches.

Le Yu, Leilei Sun, Bowen Du et al.

Graph Neural Networks (GNNs) have been widely applied in the semi-supervised node classification task, where a key point lies in how to sufficiently leverage the limited but valuable label information. Most of the classical GNNs solely use the known labels for computing the classification loss at the output. In recent years, several methods have been designed to additionally utilize the labels at the input. One part of the methods augment the node features via concatenating or adding them with the one-hot encodings of labels, while other methods optimize the graph structure by assuming neighboring nodes tend to have the same label. To bring into full play the rich information of labels, in this paper, we present a label-enhanced learning framework for GNNs, which first models each label as a virtual center for intra-class nodes and then jointly learns the representations of both nodes and labels. Our approach could not only smooth the representations of nodes belonging to the same class, but also explicitly encode the label semantics into the learning process of GNNs. Moreover, a training node selection technique is provided to eliminate the potential label leakage issue and guarantee the model generalization ability. Finally, an adaptive self-training strategy is proposed to iteratively enlarge the training set with more reliable pseudo labels and distinguish the importance of each pseudo-labeled node during the model training process. Experimental results on both real-world and synthetic datasets demonstrate our approach can not only consistently outperform the state-of-the-arts, but also effectively smooth the representations of intra-class nodes.

Le Yu, Zihang Liu, Leilei Sun et al.

Given a sequence of sets, where each set has a timestamp and contains an arbitrary number of elements, temporal sets prediction aims to predict the elements in the subsequent set. Previous studies for temporal sets prediction mainly focus on the modelling of elements and implicitly represent each user's preference based on his/her interacted elements. However, user preferences are often continuously evolving and the evolutionary trend cannot be fully captured with the indirect learning paradigm of user preferences. To this end, we propose a continuous-time user preference modelling framework for temporal sets prediction, which explicitly models the evolving preference of each user by maintaining a memory bank to store the states of all the users and elements. Specifically, we first construct a universal sequence by arranging all the user-set interactions in a non-descending temporal order, and then chronologically learn from each user-set interaction. For each interaction, we continuously update the memories of the related user and elements based on their currently encoded messages and past memories. Moreover, we present a personalized user behavior learning module to discover user-specific characteristics based on each user's historical sequence, which aggregates the previously interacted elements from dual perspectives according to the user and elements. Finally, we develop a set-batch algorithm to improve the model efficiency, which can create time-consistent batches in advance and achieve 3.5x and 3.0x speedups in the training and evaluation process on average. Experiments on four real-world datasets demonstrate the superiority of our approach over state-of-the-arts under both transductive and inductive settings. The good interpretability of our method is also shown.

Ruixing Zhang, Liangzhe Han, Leilei Sun et al.

User profiling and region analysis are two tasks of significant commercial value. However, in practical applications, modeling different features typically involves four main steps: data preparation, data processing, model establishment, evaluation, and optimization. This process is time-consuming and labor-intensive. Repeating this workflow for each feature results in abundant development time for tasks and a reduced overall volume of task development. Indeed, human mobility data contains a wealth of information. Several successful cases suggest that conducting in-depth analysis of population movement data could potentially yield meaningful profiles about users and areas. Nonetheless, most related works have not thoroughly utilized the semantic information within human mobility data and trained on a fixed number of the regions. To tap into the rich information within population movement, based on the perspective that Regions Are Who walk them, we propose a large spatiotemporal model based on trajectories (RAW). It possesses the following characteristics: 1) Tailored for trajectory data, introducing a GPT-like structure with a parameter count of up to 1B; 2) Introducing a spatiotemporal fine-tuning module, interpreting trajectories as collection of users to derive arbitrary region embedding. This framework allows rapid task development based on the large spatiotemporal model. We conducted extensive experiments to validate the effectiveness of our proposed large spatiotemporal model. It's evident that our proposed method, relying solely on human mobility data without additional features, exhibits a certain level of relevance in user profiling and region analysis. Moreover, our model showcases promising predictive capabilities in trajectory generation tasks based on the current state, offering the potential for further innovative work utilizing this large spatiotemporal model.

KeFan Li, Mengfei Wang, Hengzhi Zhang et al.

Large language models have advanced software engineering automation, yet resolving real-world software issues remains difficult because it requires repository-level reasoning, accurate diagnostics, and strong verification signals. Existing agent-based and pipeline-based methods often rely on insufficient tests, which can lead to patches that satisfy verification but fail to fix the underlying defect. We present InfCode, an adversarial multi-agent framework for automated repository-level issue resolution. InfCode iteratively refines both tests and patches through adversarial interaction between a Test Patch Generator and a Code Patch Generator, while a Selector agent identifies the most reliable fix. The framework runs inside a containerized environment that supports realistic repository inspection, modification, and validation. Experiments on SWE-bench Lite and SWE-bench Verified using models such as DeepSeek-V3 and Claude 4.5 Sonnet show that InfCode consistently outperforms strong baselines. It achieves 79.4% performance on SWE-bench Verified, establishing a new state-of-the-art. We have released InfCode as an open-source project at https://github.com/Tokfinity/InfCode.

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.

Qingao Dong, Mengfei Wang, Hengzhi Zhang et al.

Large language model (LLM) agents have recently shown strong performance on repository-level issue resolution, but existing systems are almost exclusively designed for Python and rely heavily on lexical retrieval and shallow code navigation. These approaches transfer poorly to C++ projects, where overloaded identifiers, nested namespaces, template instantiations, and deep control-flow structures make context retrieval and fault localization substantially more difficult. As a result, state-of-the-art Python-oriented agents show a drastic performance drop on the C++ subset of MultiSWE-bench. We introduce INFCODE-C++, the first C++-aware autonomous system for end-to-end issue resolution. The system combines two complementary retrieval mechanisms -- semantic code-intent retrieval and deterministic AST-structured querying -- to construct accurate, language-aware context for repair.These components enable precise localization and robust patch synthesis in large, statically typed C++ repositories. Evaluated on the \texttt{MultiSWE-bench-CPP} benchmark, INFCODE-C++ achieves a resolution rate of 25.58\%, outperforming the strongest prior agent by 10.85 percentage points and more than doubling the performance of MSWE-agent. Ablation and behavioral studies further demonstrate the critical role of semantic retrieval, structural analysis, and accurate reproduction in C++ issue resolution. INFCODE-C++ highlights the need for language-aware reasoning in multi-language software agents and establishes a foundation for future research on scalable, LLM-driven repair for complex, statically typed ecosystems.

Feng Li, Xuyang Yuan, Lina Wang et al.

We consider a K-armed bandit problem in general graphs where agents are arbitrarily connected and each of them has limited memorizing capabilities and communication bandwidth. The goal is to let each of the agents eventually learn the best arm. It is assumed in these studies that the communication graph should be complete or well-structured, whereas such an assumption is not always valid in practice. Furthermore, limited memorization and communication bandwidth also restrict the collaborations of the agents, since the agents memorize and communicate very few experiences. Additionally, an agent may be corrupted to share falsified experiences to its peers, while the resource limit in terms of memorization and communication may considerably restrict the reliability of the learning process. To address the above issues, we propose a three-staged collaborative learning algorithm. In each step, the agents share their latest experiences with each other through light-weight random walks in a general communication graph, and then make decisions on which arms to pull according to the recommendations received from their peers. The agents finally update their adoptions (i.e., preferences to the arms) based on the reward obtained by pulling the arms. Our theoretical analysis shows that, when there are a sufficient number of agents participating in the collaborative learning process, all the agents eventually learn the best arm with high probability, even with limited memorizing capabilities and light-weight communications. We also reveal in our theoretical analysis the upper bound on the number of corrupted agents our algorithm can tolerate. The efficacy of our proposed three-staged collaborative learning algorithm is finally verified by extensive experiments on both synthetic and real datasets.

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.

Chunchi Liu, Minghui Xu, Hechuan Guo et al.

With the prevalence of Internet of Things (IoT) applications, IoT devices interact closely with our surrounding environments, bringing us unparalleled smartness and convenience. However, the development of secure IoT solutions is getting a long way lagged behind, making us exposed to common unauthorized accesses that may bring malicious attacks and unprecedented danger to our daily life. Overprivilege attack, a widely reported phenomenon in IoT that accesses unauthorized or excessive resources, is notoriously hard to prevent, trace and mitigate. To tackle this challenge, we propose Tokoin-Based Access Control (TBAC), an accountable access control model enabled by blockchain and Trusted Execution Environment (TEE) technologies, to offer fine-graininess, strong auditability, and access procedure control for IoT. TBAC materializes the virtual access power into a definite-amount and secure cryptographic coin termed "tokoin" (token+coin), and manages it using atomic and accountable state-transition functions in a blockchain. We also realize access procedure control by mandating every tokoin a fine-grained access policy defining who is allowed to do what at when in where by how. The tokoin is peer-to-peer transferable, and can be modified only by the resource owner when necessary. We fully implement TBAC with well-studied cryptographic primitives and blockchain platforms and present a readily available APP for regular users. We also present a case study to demonstrate how TBAC is employed to enable autonomous in-home cargo delivery while guaranteeing the access policy compliance and home owner's physical security by regulating the physical behaviors of the deliveryman.

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.

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.

Chuanqi Tan, Furu Wei, Pengjie Ren et al.

We present a simple yet effective approach for linking entities in queries. The key idea is to search sentences similar to a query from Wikipedia articles and directly use the human-annotated entities in the similar sentences as candidate entities for the query. Then, we employ a rich set of features, such as link-probability, context-matching, word embeddings, and relatedness among candidate entities as well as their related entities, to rank the candidates under a regression based framework. The advantages of our approach lie in two aspects, which contribute to the ranking process and final linking result. First, it can greatly reduce the number of candidate entities by filtering out irrelevant entities with the words in the query. Second, we can obtain the query sensitive prior probability in addition to the static link-probability derived from all Wikipedia articles. We conduct experiments on two benchmark datasets on entity linking for queries, namely the ERD14 dataset and the GERDAQ dataset. Experimental results show that our method outperforms state-of-the-art systems and yields 75.0% in F1 on the ERD14 dataset and 56.9% on the GERDAQ dataset.

Deqing Wang, Hui Zhang, Rui Liu et al.

Much work has been done on feature selection. Existing methods are based on document frequency, such as Chi-Square Statistic, Information Gain etc. However, these methods have two shortcomings: one is that they are not reliable for low-frequency terms, and the other is that they only count whether one term occurs in a document and ignore the term frequency. Actually, high-frequency terms within a specific category are often regards as discriminators. This paper focuses on how to construct the feature selection function based on term frequency, and proposes a new approach based on $t$-test, which is used to measure the diversity of the distributions of a term between the specific category and the entire corpus. Extensive comparative experiments on two text corpora using three classifiers show that our new approach is comparable to or or slightly better than the state-of-the-art feature selection methods (i.e., $χ^2$, and IG) in terms of macro-$F_1$ and micro-$F_1$.