Yuxiang Ren

Jiaming Wang, Ziteng Feng, Jiangtao Wu et al.

Deep-research agents solve tasks through long trajectories of search, tool use, evidence inspection, and answer synthesis. Evaluation based on final answers shows whether an agent succeeds, but not which parts of the trajectory make the answer unreliable. We study span-level error localization for deep-research agents. We collect 2,790 real trajectories from two agent frameworks, three backbone models, and three benchmarks, convert raw logs into semantic spans, and annotate harmful error spans through LLM-assisted expert review. From these annotations, we build TELBench, a 1,000-instance benchmark for identifying error spans among normal exploration, failed searches, tentative hypotheses, and harmless noise. We further propose DRIFT, a claim-centric auditing framework that tracks agent claims, checks their support in trajectory evidence, and marks spans where unsupported or conflicting claims affect the answer path. Experiments across model families and auditing frameworks show that DRIFT improves span-level error localization and first-error accuracy by up to 30 percentage points. Our work provides a process-level view of reliability in deep-research agents.

Jianxiang Yu, Yuxiang Ren, Chenghua Gong et al.

Text-attributed graphs have recently garnered significant attention due to their wide range of applications in web domains. Existing methodologies employ word embedding models for acquiring text representations as node features, which are subsequently fed into Graph Neural Networks (GNNs) for training. Recently, the advent of Large Language Models (LLMs) has introduced their powerful capabilities in information retrieval and text generation, which can greatly enhance the text attributes of graph data. Furthermore, the acquisition and labeling of extensive datasets are both costly and time-consuming endeavors. Consequently, few-shot learning has emerged as a crucial problem in the context of graph learning tasks. In order to tackle this challenge, we propose a lightweight paradigm called LLM4NG, which adopts a plug-and-play approach to empower text-attributed graphs through node generation using LLMs. Specifically, we utilize LLMs to extract semantic information from the labels and generate samples that belong to these categories as exemplars. Subsequently, we employ an edge predictor to capture the structural information inherent in the raw dataset and integrate the newly generated samples into the original graph. This approach harnesses LLMs for enhancing class-level information and seamlessly introduces labeled nodes and edges without modifying the raw dataset, thereby facilitating the node classification task in few-shot scenarios. Extensive experiments demonstrate the outstanding performance of our proposed paradigm, particularly in low-shot scenarios. For instance, in the 1-shot setting of the ogbn-arxiv dataset, LLM4NG achieves a 76% improvement over the baseline model.

Yuhan Li, Xinni Zhang, Linhao Luo et al.

Explainable recommendation has demonstrated significant advantages in informing users about the logic behind recommendations, thereby increasing system transparency, effectiveness, and trustworthiness. To provide personalized and interpretable explanations, existing works often combine the generation capabilities of large language models (LLMs) with collaborative filtering (CF) information. CF information extracted from the user-item interaction graph captures the user behaviors and preferences, which is crucial for providing informative explanations. However, due to the complexity of graph structure, effectively extracting the CF information from graphs still remains a challenge. Moreover, existing methods often struggle with the integration of extracted CF information with LLMs due to its implicit representation and the modality gap between graph structures and natural language explanations. To address these challenges, we propose G-Refer, a framework using graph retrieval-augmented large language models (LLMs) for explainable recommendation. Specifically, we first employ a hybrid graph retrieval mechanism to retrieve explicit CF signals from both structural and semantic perspectives. The retrieved CF information is explicitly formulated as human-understandable text by the proposed graph translation and accounts for the explanations generated by LLMs. To bridge the modality gap, we introduce knowledge pruning and retrieval-augmented fine-tuning to enhance the ability of LLMs to process and utilize the retrieved CF information to generate explanations. Extensive experiments show that G-Refer achieves superior performance compared with existing methods in both explainability and stability. Codes and data are available at https://github.com/Yuhan1i/G-Refer.

Shengyin Sun, Yuxiang Ren, Jiehao Chen et al.

The latest advancements in large language models (LLMs) have revolutionized the field of natural language processing (NLP). Inspired by the success of LLMs in NLP tasks, some recent work has begun investigating the potential of applying LLMs in graph learning tasks. However, most of the existing work focuses on utilizing LLMs as powerful node feature augmenters, leaving employing LLMs to enhance graph topological structures an understudied problem. In this work, we explore how to leverage the information retrieval and text generation capabilities of LLMs to refine/enhance the topological structure of text-attributed graphs (TAGs) under the node classification setting. First, we propose using LLMs to help remove unreliable edges and add reliable ones in the TAG. Specifically, we first let the LLM output the semantic similarity between node attributes through delicate prompt designs, and then perform edge deletion and edge addition based on the similarity. Second, we propose using pseudo-labels generated by the LLM to improve graph topology, that is, we introduce the pseudo-label propagation as a regularization to guide the graph neural network (GNN) in learning proper edge weights. Finally, we incorporate the two aforementioned LLM-based methods for graph topological refinement into the process of GNN training, and perform extensive experiments on four real-world datasets. The experimental results demonstrate the effectiveness of LLM-based graph topology refinement (achieving a 0.15%--2.47% performance gain on public benchmarks).

Qianqian Xie, Qingheng Xiong, He Zhu et al.

Deep Research Agents (DRAs) aim to solve complex, long-horizon research tasks involving planning, retrieval, multimodal understanding, and report generation, yet their evaluation remains challenging due to dynamic web environments and ambiguous task definitions. We propose DR$^{3}$-Eval, a realistic and reproducible benchmark for evaluating deep research agents on multimodal, multi-file report generation. DR$^{3}$-Eval is constructed from authentic user-provided materials and paired with a per-task static research sandbox corpus that simulates open-web complexity while remaining fully verifiable, containing supportive documents, distractors, and noise. Moreover, we introduce a multi-dimensional evaluation framework measuring Information Recall, Factual Accuracy, Citation Coverage, Instruction Following, and Depth Quality, and validate its alignment with human judgments. Experiments with our developed multi-agent system DR$^{3}$-Agent based on multiple state-of-the-art language models demonstrate that DR$^{3}$-Eval is highly challenging and reveals critical failure modes in retrieval robustness and hallucination control. Our code and data are publicly available.

Tianyu Zhang, Yuxiang Ren, Chengbin Hou et al.

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the pre-training framework have achieved impressive results. However, these methods heavily rely on biochemical experts, and retrieving and summarizing vast amounts of domain knowledge literature is both time-consuming and expensive. Large Language Models (LLMs) have demonstrated remarkable performance in understanding and efficiently providing general knowledge. Nevertheless, they occasionally exhibit hallucinations and lack precision in generating domain-specific knowledge. Conversely, Domain-specific Small Models (DSMs) possess rich domain knowledge and can accurately calculate molecular domain-related metrics. However, due to their limited model size and singular functionality, they lack the breadth of knowledge necessary for comprehensive representation learning. To leverage the advantages of both approaches in molecular property prediction, we propose a novel Molecular Graph representation learning framework that integrates Large language models and Domain-specific small models (MolGraph-LarDo). Technically, we design a two-stage prompt strategy where DSMs are introduced to calibrate the knowledge provided by LLMs, enhancing the accuracy of domain-specific information and thus enabling LLMs to generate more precise textual descriptions for molecular samples. Subsequently, we employ a multi-modal alignment method to coordinate various modalities, including molecular graphs and their corresponding descriptive texts, to guide the pre-training of molecular representations. Extensive experiments demonstrate the effectiveness of the proposed method.

Wenhao Liu, Zhenyi Lu, Xinyu Hu et al.

High-quality math datasets are crucial for advancing the reasoning abilities of large language models (LLMs). However, existing datasets often suffer from three key issues: outdated and insufficient challenging content, neglecting human-like reasoning, and limited reliability due to single-LLM generation. To address these, we introduce STORM-BORN, an ultra-challenging dataset of mathematical derivations sourced from cutting-edge academic papers, which includes dense human-like approximations and heuristic cues. To ensure the reliability and quality, we propose a novel human-in-the-loop, multi-agent data generation framework, integrating reasoning-dense filters, multi-agent collaboration, and human mathematicians' evaluations. We curated a set of 2,000 synthetic samples and deliberately selected the 100 most difficult problems. Even most advanced models like GPT-o1 solved fewer than 5% of them. Fine-tuning on STORM-BORN boosts accuracy by 7.84% (LLaMA3-8B) and 9.12% (Qwen2.5-7B). As AI approaches mathematician-level reasoning, STORM-BORN provides both a high-difficulty benchmark and a human-like reasoning training resource. Our code and dataset are publicly available at https://github.com/lwhere/STORM-BORN.

Junyu Chen, Junzhuo Li, Zhen Peng et al.

Quantization and fine-tuning are crucial for deploying large language models (LLMs) on resource-constrained edge devices. However, fine-tuning quantized models presents significant challenges, primarily stemming from: First, the mismatch in data types between the low-precision quantized weights (e.g., 4-bit) and the high-precision adaptation weights (e.g., 16-bit). This mismatch limits the computational efficiency advantage offered by quantized weights during inference. Second, potential accuracy degradation when merging these high-precision adaptation weights into the low-precision quantized weights, as the adaptation weights often necessitate approximation or truncation. Third, as far as we know, no existing methods support the lossless merging of adaptation while adjusting all quantized weights. To address these challenges, we introduce lossless ternary adaptation for quantization-aware fine-tuning (LoTA-QAF). This is a novel fine-tuning method specifically designed for quantized LLMs, enabling the lossless merging of ternary adaptation weights into quantized weights and the adjustment of all quantized weights. LoTA-QAF operates through a combination of: i) A custom-designed ternary adaptation (TA) that aligns ternary weights with the quantization grid and uses these ternary weights to adjust quantized weights. ii) A TA-based mechanism that enables the lossless merging of adaptation weights. iii) Ternary signed gradient descent (t-SignSGD) for updating the TA weights. We apply LoTA-QAF to Llama-3.1/3.3 and Qwen-2.5 model families and validate its effectiveness on several downstream tasks. On the MMLU benchmark, our method effectively recovers performance for quantized models, surpassing 16-bit LoRA by up to 5.14\%. For task-specific fine-tuning, 16-bit LoRA achieves superior results, but LoTA-QAF still outperforms other methods. Code: github.com/KingdalfGoodman/LoTA-QAF.

Tianyu Zhang, Yuxiang Ren, Wenzheng Feng et al.

Unsupervised graph representation learning is a non-trivial topic. The success of contrastive methods in the unsupervised representation learning on structured data inspires similar attempts on the graph. Existing graph contrastive learning (GCL) aims to learn the invariance across multiple augmentation views, which renders it heavily reliant on the handcrafted graph augmentations. However, inappropriate graph data augmentations can potentially jeopardize such invariance. In this paper, we show the potential hazards of inappropriate augmentations and then propose a novel Collaborative Graph Contrastive Learning framework (CGCL). This framework harnesses multiple graph encoders to observe the graph. Features observed from different encoders serve as the contrastive views in contrastive learning, which avoids inducing unstable perturbation and guarantees the invariance. To ensure the collaboration among diverse graph encoders, we propose the concepts of asymmetric architecture and complementary encoders as the design principle. To further prove the rationality, we utilize two quantitative metrics to measure the assembly of CGCL respectively. Extensive experiments demonstrate the advantages of CGCL in unsupervised graph-level representation learning and the potential of collaborative framework. The source code for reproducibility is available at https://github.com/zhangtia16/CGCL

Jiale Chang, Yuxiang Ren

Long-term personalized memory for LLM agents is challenging on resource-limited edge devices due to high storage costs and multimodal complexity. To address this, we propose ScrapMem, a framework that integrates multimodal data into "Scrapbook Page." ScrapMem introduces Optical Forgetting, an optical compression mechanism that progressively reduces the resolution of older memories, lowering storage cost while suppressing low-value details. To maintain semantic consistency, we construct an Episodic Memory Graph (EM-Graph) that organizes key events into a causal-temporal structure. Extensive experiments on the multimodal ATM-Bench showcase that ScrapMem provides three main benefits: (1) strong performance, achieving a new state-of-the-art with a 51.0% Joint@10 score; (2) high storage efficiency, reducing memory usage by up to 93% via optical forgetting; and (3) improved recall, increasing Recall@10 to 70.3% through structured aggregation. ScrapMem offers an effective and storage-efficient solution for on-device long-term memory in multimodal LLM agents.

Heng Zhou, Zhetao Guo, Shuhong Liu et al.

Monocular SLAM has received a lot of attention due to its simple RGB inputs and the lifting of complex sensor constraints. However, existing monocular SLAM systems are designed for bounded scenes, restricting the applicability of SLAM systems. To address this limitation, we propose MoD-SLAM, the first monocular NeRF-based dense mapping method that allows 3D reconstruction in real-time in unbounded scenes. Specifically, we introduce a Gaussian-based unbounded scene representation approach to solve the challenge of mapping scenes without boundaries. This strategy is essential to extend the SLAM application. Moreover, a depth estimation module in the front-end is designed to extract accurate priori depth values to supervise mapping and tracking processes. By introducing a robust depth loss term into the tracking process, our SLAM system achieves more precise pose estimation in large-scale scenes. Our experiments on two standard datasets show that MoD-SLAM achieves competitive performance, improving the accuracy of the 3D reconstruction and localization by up to 30% and 15% respectively compared with existing state-of-the-art monocular SLAM systems.

Jiacheng Cen, Anyi Li, Ning Lin et al.

Equivariant Graph Neural Networks (GNNs) that incorporate E(3) symmetry have achieved significant success in various scientific applications. As one of the most successful models, EGNN leverages a simple scalarization technique to perform equivariant message passing over only Cartesian vectors (i.e., 1st-degree steerable vectors), enjoying greater efficiency and efficacy compared to equivariant GNNs using higher-degree steerable vectors. This success suggests that higher-degree representations might be unnecessary. In this paper, we disprove this hypothesis by exploring the expressivity of equivariant GNNs on symmetric structures, including $k$-fold rotations and regular polyhedra. We theoretically demonstrate that equivariant GNNs will always degenerate to a zero function if the degree of the output representations is fixed to 1 or other specific values. Based on this theoretical insight, we propose HEGNN, a high-degree version of EGNN to increase the expressivity by incorporating high-degree steerable vectors while maintaining EGNN's efficiency through the scalarization trick. Our extensive experiments demonstrate that HEGNN not only aligns with our theoretical analyses on toy datasets consisting of symmetric structures, but also shows substantial improvements on more complicated datasets such as $N$-body and MD17. Our theoretical findings and empirical results potentially open up new possibilities for the research of equivariant GNNs.

Shengyin Sun, Wenhao Yu, Yuxiang Ren et al.

Retrosynthesis prediction focuses on identifying reactants capable of synthesizing a target product. Typically, the retrosynthesis prediction involves two phases: Reaction Center Identification and Reactant Generation. However, we argue that most existing methods suffer from two limitations in the two phases: (i) Existing models do not adequately capture the ``face'' information in molecular graphs for the reaction center identification. (ii) Current approaches for the reactant generation predominantly use sequence generation in a 2D space, which lacks versatility in generating reasonable distributions for completed reactive groups and overlooks molecules' inherent 3D properties. To overcome the above limitations, we propose GDiffRetro. For the reaction center identification, GDiffRetro uniquely integrates the original graph with its corresponding dual graph to represent molecular structures, which helps guide the model to focus more on the faces in the graph. For the reactant generation, GDiffRetro employs a conditional diffusion model in 3D to further transform the obtained synthon into a complete reactant. Our experimental findings reveal that GDiffRetro outperforms state-of-the-art semi-template models across various evaluative metrics.

Liming Wu, Wenbing Huang, Rui Jiao et al.

Crystal Structure Prediction (CSP), which aims to generate stable crystal structures from compositions, represents a critical pathway for discovering novel materials. While structure prediction tasks in other domains, such as proteins, have seen remarkable progress, CSP remains a relatively underexplored area due to the more complex geometries inherent in crystal structures. In this paper, we propose Siamese foundation models specifically designed to address CSP. Our pretrain-finetune framework, named DAO, comprises two complementary foundation models: DAO-G for structure generation and DAO-P for energy prediction. Experiments on CSP benchmarks (MP-20 and MPTS-52) demonstrate that our DAO-G significantly surpasses state-of-the-art (SOTA) methods across all metrics. Extensive ablation studies further confirm that DAO-G excels in generating diverse polymorphic structures, and the dataset relaxation and energy guidance provided by DAO-P are essential for enhancing DAO-G's performance. When applied to three real-world superconductors ($\text{CsV}_3\text{Sb}_5$, $ \text{Zr}_{16}\text{Rh}_8\text{O}_4$ and $\text{Zr}_{16}\text{Pd}_8\text{O}_4$) that are known to be challenging to analyze, our foundation models achieve accurate critical temperature predictions and structure generations. For instance, on $\text{CsV}_3\text{Sb}_5$, DAO-G generates a structure close to the experimental one with an RMSE of 0.0085; DAO-P predicts the $T_c$ value with high accuracy (2.26 K vs. the ground-truth value of 2.30 K). In contrast, conventional DFT calculators like Quantum Espresso only successfully derive the structure of the first superconductor within an acceptable time, while the RMSE is nearly 8 times larger, and the computation speed is more than 1000 times slower. These compelling results collectively highlight the potential of our approach for advancing materials science research and development.

Kaiwei Zhang, Yange Lin, Guangcheng Wu et al.

The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge of designing molecular drugs or materials that incorporate multi-modality prior knowledge remains a critical and complex undertaking. Specifically, achieving a practical molecular design necessitates not only meeting the diversity requirements but also addressing structural and textural constraints with various symmetries outlined by domain experts. In this article, we present an innovative approach to tackle this inverse design problem by formulating it as a multi-modality guidance optimization task. Our proposed solution involves a textural-structure alignment symmetric diffusion framework for the implementation of molecular optimization tasks, namely 3DToMolo. 3DToMolo aims to harmonize diverse modalities including textual description features and graph structural features, aligning them seamlessly to produce molecular structures adhere to specified symmetric structural and textural constraints by experts in the field. Experimental trials across three guidance optimization settings have shown a superior hit optimization performance compared to state-of-the-art methodologies. Moreover, 3DToMolo demonstrates the capability to discover potential novel molecules, incorporating specified target substructures, without the need for prior knowledge. This work not only holds general significance for the advancement of deep learning methodologies but also paves the way for a transformative shift in molecular design strategies. 3DToMolo creates opportunities for a more nuanced and effective exploration of the vast chemical space, opening new frontiers in the development of molecular entities with tailored properties and functionalities.

Kailong Wu, Yule Xie, Jiaxin Ding et al.

Graph neural networks (GNN) have achieved remarkable success in a wide range of tasks by encoding features combined with topology to create effective representations. However, the fundamental problem of understanding and analyzing how graph topology influences the performance of learning models on downstream tasks has not yet been well understood. In this paper, we propose a metric, TopoInf, which characterizes the influence of graph topology by measuring the level of compatibility between the topological information of graph data and downstream task objectives. We provide analysis based on the decoupled GNNs on the contextual stochastic block model to demonstrate the effectiveness of the metric. Through extensive experiments, we demonstrate that TopoInf is an effective metric for measuring topological influence on corresponding tasks and can be further leveraged to enhance graph learning.

Jiyang Bai, Yuxiang Ren, Jiawei Zhang

Graph neural network (GNN) has shown convincing performance in learning powerful node representations that preserve both node attributes and graph structural information. However, many GNNs encounter problems in effectiveness and efficiency when they are designed with a deeper network structure or handle large-sized graphs. Several sampling algorithms have been proposed for improving and accelerating the training of GNNs, yet they ignore understanding the source of GNN performance gain. The measurement of information within graph data can help the sampling algorithms to keep high-value information while removing redundant information and even noise. In this paper, we propose a Metric-Guided (MeGuide) subgraph learning framework for GNNs. MeGuide employs two novel metrics: Feature Smoothness and Connection Failure Distance to guide the subgraph sampling and mini-batch based training. Feature Smoothness is designed for analyzing the feature of nodes in order to retain the most valuable information, while Connection Failure Distance can measure the structural information to control the size of subgraphs. We demonstrate the effectiveness and efficiency of MeGuide in training various GNNs on multiple datasets.

Yuxiang Ren, Bo Wang, Jiawei Zhang et al.

The explosive growth of fake news along with destructive effects on politics, economy, and public safety has increased the demand for fake news detection. Fake news on social media does not exist independently in the form of an article. Many other entities, such as news creators, news subjects, and so on, exist on social media and have relationships with news articles. Different entities and relationships can be modeled as a heterogeneous information network (HIN). In this paper, we attempt to solve the fake news detection problem with the support of a news-oriented HIN. We propose a novel fake news detection framework, namely Adversarial Active Learning-based Heterogeneous Graph Neural Network (AA-HGNN) which employs a novel hierarchical attention mechanism to perform node representation learning in the HIN. AA-HGNN utilizes an active learning framework to enhance learning performance, especially when facing the paucity of labeled data. An adversarial selector will be trained to query high-value candidates for the active learning framework. When the adversarial active learning is completed, AA-HGNN detects fake news by classifying news article nodes. Experiments with two real-world fake news datasets show that our model can outperform text-based models and other graph-based models when using less labeled data benefiting from the adversarial active learning. As a model with generalizability, AA-HGNN also has the ability to be widely used in other node classification-related applications on heterogeneous graphs.

Yuxiang Ren, Jiyang Bai, Jiawei Zhang

Graph classification is a critical research problem in many applications from different domains. In order to learn a graph classification model, the most widely used supervision component is an output layer together with classification loss (e.g.,cross-entropy loss together with softmax or margin loss). In fact, the discriminative information among instances are more fine-grained, which can benefit graph classification tasks. In this paper, we propose the novel Label Contrastive Coding based Graph Neural Network (LCGNN) to utilize label information more effectively and comprehensively. LCGNN still uses the classification loss to ensure the discriminability of classes. Meanwhile, LCGNN leverages the proposed Label Contrastive Loss derived from self-supervised learning to encourage instance-level intra-class compactness and inter-class separability. To power the contrastive learning, LCGNN introduces a dynamic label memory bank and a momentum updated encoder. Our extensive evaluations with eight benchmark graph datasets demonstrate that LCGNN can outperform state-of-the-art graph classification models. Experimental results also verify that LCGNN can achieve competitive performance with less training data because LCGNN exploits label information comprehensively.

Jiyang Bai, Yuxiang Ren, Jiawei Zhang

Graph neural networks (GNNs) have achieved outstanding performance in learning graph-structured data and various tasks. However, many current GNNs suffer from three common problems when facing large-size graphs or using a deeper structure: neighbors explosion, node dependence, and oversmoothing. Such problems attribute to the data structures of the graph itself or the designing of the multi-layers GNNs framework, and can lead to low training efficiency and high space complexity. To deal with these problems, in this paper, we propose a general subgraph-based training framework, namely Ripple Walk Training (RWT), for deep and large graph neural networks. RWT samples subgraphs from the full graph to constitute a mini-batch, and the full GNN is updated based on the mini-batch gradient. We analyze the high-quality subgraphs to train GNNs in a theoretical way. A novel sampling method Ripple Walk Sampler works for sampling these high-quality subgraphs to constitute the mini-batch, which considers both the randomness and connectivity of the graph-structured data. Extensive experiments on different sizes of graphs demonstrate the effectiveness and efficiency of RWT in training various GNNs (GCN & GAT).

Yuxiang Ren, Jiawei Zhang

The viral spread of fake news has caused great social harm, making fake news detection an urgent task. Current fake news detection methods rely heavily on text information by learning the extracted news content or writing style of internal knowledge. However, deliberate rumors can mask writing style, bypassing language models and invalidating simple text-based models. In fact, news articles and other related components (such as news creators and news topics) can be modeled as a heterogeneous information network (HIN for short). In this paper, we propose a novel fake news detection framework, namely Hierarchical Graph Attention Network(HGAT), which uses a novel hierarchical attention mechanism to perform node representation learning in HIN, and then detects fake news by classifying news article nodes. Experiments on two real-world fake news datasets show that HGAT can outperform text-based models and other network-based models. In addition, the experiment proved the expandability and generalizability of our for graph representation learning and other node classification related applications in heterogeneous graphs.

Yuxiang Ren, Hao Zhu, Jiawei Zhang et al.

Fraud detection is extremely critical for e-commerce business. It is the intent of the companies to detect and prevent fraud as early as possible. Existing fraud detection methods try to identify unexpected dense subgraphs and treat related nodes as suspicious. Spectral relaxation-based methods solve the problem efficiently but hurt the performance due to the relaxed constraints. Besides, many methods cannot be accelerated with parallel computation or control the number of returned suspicious nodes because they provide a set of subgraphs with diverse node sizes. These drawbacks affect the real-world applications of existing methods. In this paper, we propose an Ensemble-based Fraud Detection (EnsemFDet) method to scale up fraud detection in bipartite graphs by decomposing the original problem into subproblems on small-sized subgraphs. By oversampling the graph and solving the subproblems, the ensemble approach further votes suspicious nodes without sacrificing the prediction accuracy. Extensive experiments have been done on real transaction data from JD.com, which is one of the world's largest e-commerce platforms. Experimental results demonstrate the effectiveness, practicability, and scalability of EnsemFDet. More specifically, EnsemFDet is up to 100x faster than the state-of-the-art methods due to its parallelism with all aspects of data.

Yuxiang Ren, Bo Liu, Chao Huang et al.

Graph representation learning is to learn universal node representations that preserve both node attributes and structural information. The derived node representations can be used to serve various downstream tasks, such as node classification and node clustering. When a graph is heterogeneous, the problem becomes more challenging than the homogeneous graph node learning problem. Inspired by the emerging information theoretic-based learning algorithm, in this paper we propose an unsupervised graph neural network Heterogeneous Deep Graph Infomax (HDGI) for heterogeneous graph representation learning. We use the meta-path structure to analyze the connections involving semantics in heterogeneous graphs and utilize graph convolution module and semantic-level attention mechanism to capture local representations. By maximizing local-global mutual information, HDGI effectively learns high-level node representations that can be utilized in downstream graph-related tasks. Experiment results show that HDGI remarkably outperforms state-of-the-art unsupervised graph representation learning methods on both classification and clustering tasks. By feeding the learned representations into a parametric model, such as logistic regression, we even achieve comparable performance in node classification tasks when comparing with state-of-the-art supervised end-to-end GNN models.

Jiyang Bai, Yuxiang Ren, Jiawei Zhang

For various optimization methods, gradient descent-based algorithms can achieve outstanding performance and have been widely used in various tasks. Among those commonly used algorithms, ADAM owns many advantages such as fast convergence with both the momentum term and the adaptive learning rate. However, since the loss functions of most deep neural networks are non-convex, ADAM also shares the drawback of getting stuck in local optima easily. To resolve such a problem, the idea of combining genetic algorithm with base learners is introduced to rediscover the best solutions. Nonetheless, from our analysis, the idea of combining genetic algorithm with a batch of base learners still has its shortcomings. The effectiveness of genetic algorithm can hardly be guaranteed if the unit models converge to close or the same solutions. To resolve this problem and further maximize the advantages of genetic algorithm with base learners, we propose to implement the boosting strategy for input model training, which can subsequently improve the effectiveness of genetic algorithm. In this paper, we introduce a novel optimization algorithm, namely Boosting based Genetic ADAM (BGADAM). With both theoretic analysis and empirical experiments, we will show that adding the boosting strategy into the BGADAM model can help models jump out the local optima and converge to better solutions.

Jiyang Bai, Yuxiang Ren, Jiawei Zhang

Optimization algorithms with momentum, e.g., (ADAM), have been widely used for building deep learning models due to the faster convergence rates compared with stochastic gradient descent (SGD). Momentum helps accelerate SGD in the relevant directions in parameter updating, which can minify the oscillations of parameters update route. However, there exist errors in some update steps in optimization algorithms with momentum like ADAM. The fixed momentum weight (e.g., β_1 in ADAM) will propagate errors in momentum computing. In this paper, we introduce a novel optimization algorithm, namely Discriminative wEight on Adaptive Momentum (DEAM). Instead of assigning the momentum term weight with a fixed hyperparameter, DEAM proposes to compute the momentum weight automatically based on the discriminative angle. In this way, DEAM involves fewer hyperparameters. DEAM also contains a novel backtrack term, which restricts redundant updates when the correction of the last step is needed. Extensive experiments demonstrate that DEAM can achieve a faster convergence rate than the existing optimization algorithms in training the deep learning models of both convex and non-convex situations.