Heng Chang

Yuhui Xu, Lingxi Xie, Xiaotao Gu et al. · salesforce, tsinghua

Recently years have witnessed a rapid development of large language models (LLMs). Despite the strong ability in many language-understanding tasks, the heavy computational burden largely restricts the application of LLMs especially when one needs to deploy them onto edge devices. In this paper, we propose a quantization-aware low-rank adaptation (QA-LoRA) algorithm. The motivation lies in the imbalanced degrees of freedom of quantization and adaptation, and the solution is to use group-wise operators which increase the degree of freedom of quantization meanwhile decreasing that of adaptation. QA-LoRA is easily implemented with a few lines of code, and it equips the original LoRA with two-fold abilities: (i) during fine-tuning, the LLM's weights are quantized (e.g., into INT4) to reduce time and memory usage; (ii) after fine-tuning, the LLM and auxiliary weights are naturally integrated into a quantized model without loss of accuracy. We apply QA-LoRA to the LLaMA and LLaMA2 model families and validate its effectiveness in different fine-tuning datasets and downstream scenarios. Code will be made available at https://github.com/yuhuixu1993/qa-lora.

Kehong Gong, Dongze Lian, Heng Chang et al.

We propose a novel task for generating 3D dance movements that simultaneously incorporate both text and music modalities. Unlike existing works that generate dance movements using a single modality such as music, our goal is to produce richer dance movements guided by the instructive information provided by the text. However, the lack of paired motion data with both music and text modalities limits the ability to generate dance movements that integrate both. To alleviate this challenge, we propose to utilize a 3D human motion VQ-VAE to project the motions of the two datasets into a latent space consisting of quantized vectors, which effectively mix the motion tokens from the two datasets with different distributions for training. Additionally, we propose a cross-modal transformer to integrate text instructions into motion generation architecture for generating 3D dance movements without degrading the performance of music-conditioned dance generation. To better evaluate the quality of the generated motion, we introduce two novel metrics, namely Motion Prediction Distance (MPD) and Freezing Score (FS), to measure the coherence and freezing percentage of the generated motion. Extensive experiments show that our approach can generate realistic and coherent dance movements conditioned on both text and music while maintaining comparable performance with the two single modalities. Code is available at https://garfield-kh.github.io/TM2D/.

Jia Li, Yongfeng Huang, Heng Chang et al. · tsinghua

Node classification and graph classification are two graph learning problems that predict the class label of a node and the class label of a graph respectively. A node of a graph usually represents a real-world entity, e.g., a user in a social network, or a document in a document citation network. In this work, we consider a more challenging but practically useful setting, in which a node itself is a graph instance. This leads to a hierarchical graph perspective which arises in many domains such as social network, biological network and document collection. We study the node classification problem in the hierarchical graph where a 'node' is a graph instance. As labels are usually limited, we design a novel semi-supervised solution named SEAL-CI. SEAL-CI adopts an iterative framework that takes turns to update two modules, one working at the graph instance level and the other at the hierarchical graph level. To enforce a consistency among different levels of hierarchical graph, we propose the Hierarchical Graph Mutual Information (HGMI) and further present a way to compute HGMI with theoretical guarantee. We demonstrate the effectiveness of this hierarchical graph modeling and the proposed SEAL-CI method on text and social network data.

Beini Xie, Heng Chang, Ziwei Zhang et al. · tsinghua

Graph Neural Networks (GNNs) obtain tremendous success in modeling relational data. Still, they are prone to adversarial attacks, which are massive threats to applying GNNs to risk-sensitive domains. Existing defensive methods neither guarantee performance facing new data/tasks or adversarial attacks nor provide insights to understand GNN robustness from an architectural perspective. Neural Architecture Search (NAS) has the potential to solve this problem by automating GNN architecture designs. Nevertheless, current graph NAS approaches lack robust design and are vulnerable to adversarial attacks. To tackle these challenges, we propose a novel Robust Neural Architecture search framework for GNNs (G-RNA). Specifically, we design a robust search space for the message-passing mechanism by adding graph structure mask operations into the search space, which comprises various defensive operation candidates and allows us to search for defensive GNNs. Furthermore, we define a robustness metric to guide the search procedure, which helps to filter robust architectures. In this way, G-RNA helps understand GNN robustness from an architectural perspective and effectively searches for optimal adversarial robust GNNs. Extensive experimental results on benchmark datasets show that G-RNA significantly outperforms manually designed robust GNNs and vanilla graph NAS baselines by 12.1% to 23.4% under adversarial attacks.

Xin Wang, Heng Chang, Beini Xie et al. · tsinghua

Graph neural networks (GNNs) have achieved tremendous success in the task of graph classification and its diverse downstream real-world applications. Despite the huge success in learning graph representations, current GNN models have demonstrated their vulnerability to potentially existent adversarial examples on graph-structured data. Existing approaches are either limited to structure attacks or restricted to local information, urging for the design of a more general attack framework on graph classification, which faces significant challenges due to the complexity of generating local-node-level adversarial examples using the global-graph-level information. To address this "global-to-local" attack challenge, we present a novel and general framework to generate adversarial examples via manipulating graph structure and node features. Specifically, we make use of Graph Class Activation Mapping and its variant to produce node-level importance corresponding to the graph classification task. Then through a heuristic design of algorithms, we can perform both feature and structure attacks under unnoticeable perturbation budgets with the help of both node-level and subgraph-level importance. Experiments towards attacking four state-of-the-art graph classification models on six real-world benchmarks verify the flexibility and effectiveness of our framework.

Heng Chang, Jie Cai, Jia Li · tsinghua

Graph Neural Networks (GNNs) have demonstrated great success in Knowledge Graph Completion (KGC) by modeling how entities and relations interact in recent years. However, most of them are designed to learn from the observed graph structure, which appears to have imbalanced relation distribution during the training stage. Motivated by the causal relationship among the entities on a knowledge graph, we explore this defect through a counterfactual question: "would the relation still exist if the neighborhood of entities became different from observation?". With a carefully designed instantiation of a causal model on the knowledge graph, we generate the counterfactual relations to answer the question by regarding the representations of entity pair given relation as context, structural information of relation-aware neighborhood as treatment, and validity of the composed triplet as the outcome. Furthermore, we incorporate the created counterfactual relations with the GNN-based framework on KGs to augment their learning of entity pair representations from both the observed and counterfactual relations. Experiments on benchmarks show that our proposed method outperforms existing methods on the task of KGC, achieving new state-of-the-art results. Moreover, we demonstrate that the proposed counterfactual relations-based augmentation also enhances the interpretability of the GNN-based framework through the path interpretations of predictions.

Shiji Zhou, Lianzhe Wang, Jiangnan Ye et al.

Generative AI (GenAI), which aims to synthesize realistic and diverse data samples from latent variables or other data modalities, has achieved remarkable results in various domains, such as natural language, images, audio, and graphs. However, they also pose challenges and risks to data privacy, security, and ethics. Machine unlearning is the process of removing or weakening the influence of specific data samples or features from a trained model, without affecting its performance on other data or tasks. While machine unlearning has shown significant efficacy in traditional machine learning tasks, it is still unclear if it could help GenAI become safer and aligned with human desire. To this end, this position paper provides an in-depth discussion of the machine unlearning approaches for GenAI. Firstly, we formulate the problem of machine unlearning tasks on GenAI and introduce the background. Subsequently, we systematically examine the limitations of machine unlearning on GenAI models by focusing on the two representative branches: LLMs and image generative (diffusion) models. Finally, we provide our prospects mainly from three aspects: benchmark, evaluation metrics, and utility-unlearning trade-off, and conscientiously advocate for the future development of this field.

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.

Guibin Zhang, Kaijie Chen, Guancheng Wan et al.

The past two years have witnessed the evolution of large language model (LLM)-based multi-agent systems from labor-intensive manual design to partial automation (\textit{e.g.}, prompt engineering, communication topology) and eventually to fully automated design. However, existing agentic automation pipelines often lack LLM heterogeneity and focus on single-objective performance optimization, limiting their potential to combine weaker models for more customized and cost-effective solutions. To address this challenge, we propose EvoFlow, a niching evolutionary algorithm-based framework to automatically search a population of heterogeneous and complexity-adaptive agentic workflows, rather than a single homogeneous, complex workflow. Technically, EvoFlow performs \textit{(1) tag-based retrieval} to extract parent workflows from an agentic population, evolves new workflows through \textit{(2) crossover} and \textit{(3) mutation}, and employs \textit{(4) niching-based selection} to maintain population diversity and quality. Extensive evaluations across seven benchmarks demonstrate that EvoFlow is: \textbf{(I) diverse}, evolving a population of workflows ranging from simple I/O tasks to complex multi-turn interactions; \textbf{(II) high-performing}, outperforming previous handcrafted and automated workflows by $1.23\%\sim29.86\%$; \textbf{(III) economical}, surpassing powerful \llmname{o1-preview} at $12.4\%$ of its inference cost using weaker open-source models.

Heng Chang, Liang Gu, Cheng Hu et al. · salesforce

Cross-domain recommendation (CDR) is a task that aims to improve the recommendation performance in a target domain by leveraging the information from source domains. Contrastive learning methods have been widely adopted among intra-domain (intra-CL) and inter-domain (inter-CL) users/items for their representation learning and knowledge transfer during the matching stage of CDR. However, we observe that directly employing contrastive learning on mixed-up intra-CL and inter-CL tasks ignores the difficulty of learning from inter-domain over learning from intra-domain, and thus could cause severe training instability. Therefore, this instability deteriorates the representation learning process and hurts the quality of generated embeddings. To this end, we propose a novel framework named SCCDR built up on a separated intra-CL and inter-CL paradigm and a stop-gradient operation to handle the drawback. Specifically, SCCDR comprises two specialized curriculum stages: intra-inter separation and inter-domain curriculum scheduling. The former stage explicitly uses two distinct contrastive views for the intra-CL task in the source and target domains, respectively. Meanwhile, the latter stage deliberately tackles the inter-CL tasks with a curriculum scheduling strategy that derives effective curricula by accounting for the difficulty of negative samples anchored by overlapping users. Empirical experiments on various open-source datasets and an offline proprietary industrial dataset extracted from a real-world recommender system, and an online A/B test verify that SCCDR achieves state-of-the-art performance over multiple baselines.

Ziwei Zhang, Yijian Qin, Zeyang Zhang et al.

Recent years have witnessed an upsurge in research interests and applications of machine learning on graphs. However, manually designing the optimal machine learning algorithms for different graph datasets and tasks is inflexible, labor-intensive, and requires expert knowledge, limiting its adaptivity and applicability. Automated machine learning (AutoML) on graphs, aiming to automatically design the optimal machine learning algorithm for a given graph dataset and task, has received considerable attention. However, none of the existing libraries can fully support AutoML on graphs. To fill this gap, we present Automated Graph Learning (AutoGL), the first dedicated library for automated machine learning on graphs. AutoGL is open-source, easy to use, and flexible to be extended. Specifically, we propose a three-layer architecture, consisting of backends to interface with devices, a complete automated graph learning pipeline, and supported graph applications. The automated machine learning pipeline further contains five functional modules: auto feature engineering, neural architecture search, hyper-parameter optimization, model training, and auto ensemble, covering the majority of existing AutoML methods on graphs. For each module, we provide numerous state-of-the-art methods and flexible base classes and APIs, which allow easy usage and customization. We further provide experimental results to showcase the usage of our AutoGL library. We also present AutoGL-light, a lightweight version of AutoGL to facilitate customizing pipelines and enriching applications, as well as benchmarks for graph neural architecture search. The codes of AutoGL are publicly available at https://github.com/THUMNLab/AutoGL.

Kun Wang, Guibin Zhang, Zhenhong Zhou et al. · mit

The remarkable success of Large Language Models (LLMs) has illuminated a promising pathway toward achieving Artificial General Intelligence for both academic and industrial communities, owing to their unprecedented performance across various applications. As LLMs continue to gain prominence in both research and commercial domains, their security and safety implications have become a growing concern, not only for researchers and corporations but also for every nation. Currently, existing surveys on LLM safety primarily focus on specific stages of the LLM lifecycle, e.g., deployment phase or fine-tuning phase, lacking a comprehensive understanding of the entire "lifechain" of LLMs. To address this gap, this paper introduces, for the first time, the concept of "full-stack" safety to systematically consider safety issues throughout the entire process of LLM training, deployment, and eventual commercialization. Compared to the off-the-shelf LLM safety surveys, our work demonstrates several distinctive advantages: (I) Comprehensive Perspective. We define the complete LLM lifecycle as encompassing data preparation, pre-training, post-training, deployment and final commercialization. To our knowledge, this represents the first safety survey to encompass the entire lifecycle of LLMs. (II) Extensive Literature Support. Our research is grounded in an exhaustive review of over 800+ papers, ensuring comprehensive coverage and systematic organization of security issues within a more holistic understanding. (III) Unique Insights. Through systematic literature analysis, we have developed reliable roadmaps and perspectives for each chapter. Our work identifies promising research directions, including safety in data generation, alignment techniques, model editing, and LLM-based agent systems. These insights provide valuable guidance for researchers pursuing future work in this field.

Shengyu Tao, Guangyuan Ma, Huixiong Yang et al.

As electric vehicles (EVs) approach the end of their operational life, their batteries retain significant economic value and present promising opportunities for second-life use and material recycling. This is particularly compelling for Global South and other underdeveloped regions, where reliable energy storage is vital to addressing critical challenges posed by weak and even nonexistent power grid and energy infrastructures. However, despite this potential, widespread adoption has been hindered by critical uncertainties surrounding the technical performance, safety, and recertification of second-life batteries. In cases where they have been redeployed, mismatches between estimated and actual performance often render batteries technically unsuitable or hazardous, turning them into liabilities for communities they were intended to benefit. This considerable misalignment exacerbates energy access disparities and undermines the broader vision of energy justice, highlighting an urgent need for robust and scalable solutions to unlock the potential. In the PulseBat Dataset, the authors tested 464 retired lithium-ion batteries, covering 3 cathode material types, 6 historical usages, 3 physical formats, and 6 capacity designs. The pulse test experiments were performed repeatedly for each second-life battery with 10 pulse width, 10 pulse magnitude, multiple state-of-charge, and state-of-health conditions, e.g., from 0.37 to 1.03. The PulseBat Dataset recorded these test conditions and the voltage response as well as the temperature signals that were subject to the injected pulse current, which could be used as a valuable data resource for critical diagnostics tasks such as state-of-charge estimation, state-of-health estimation, cathode material type identification, open-circuit voltage reconstruction, thermal management, and beyond.

Yongliang Wu, Shiji Zhou, Mingzhuo Yang et al.

Text-to-image diffusion models have achieved remarkable success in generating photorealistic images. However, the inclusion of sensitive information during pre-training poses significant risks. Machine Unlearning (MU) offers a promising solution to eliminate sensitive concepts from these models. Despite its potential, existing MU methods face two main challenges: 1) limited generalization, where concept erasure is effective only within the unlearned set, failing to prevent sensitive concept generation from out-of-set prompts; and 2) utility degradation, where removing target concepts significantly impacts the model's overall performance. To address these issues, we propose a novel concept domain correction framework named \textbf{DoCo} (\textbf{Do}main \textbf{Co}rrection). By aligning the output domains of sensitive and anchor concepts through adversarial training, our approach ensures comprehensive unlearning of target concepts. Additionally, we introduce a concept-preserving gradient surgery technique that mitigates conflicting gradient components, thereby preserving the model's utility while unlearning specific concepts. Extensive experiments across various instances, styles, and offensive concepts demonstrate the effectiveness of our method in unlearning targeted concepts with minimal impact on related concepts, outperforming previous approaches even for out-of-distribution prompts.

Heng Chang, Jiangnan Ye, Alejo Lopez Avila et al.

Graph Neural Networks (GNNs) have achieved great success in Knowledge Graph Completion (KGC) by modelling how entities and relations interact in recent years. However, the explanation of the predicted facts has not caught the necessary attention. Proper explanations for the results of GNN-based KGC models increase model transparency and help researchers develop more reliable models. Existing practices for explaining KGC tasks rely on instance/subgraph-based approaches, while in some scenarios, paths can provide more user-friendly and interpretable explanations. Nonetheless, the methods for generating path-based explanations for KGs have not been well-explored. To address this gap, we propose Power-Link, the first path-based KGC explainer that explores GNN-based models. We design a novel simplified graph-powering technique, which enables the generation of path-based explanations with a fully parallelisable and memory-efficient training scheme. We further introduce three new metrics for quantitative evaluation of the explanations, together with a qualitative human evaluation. Extensive experiments demonstrate that Power-Link outperforms the SOTA baselines in interpretability, efficiency, and scalability.

Botao Wang, Jia Li, Heng Chang et al.

In this work, we discover that causal inference provides a promising approach to capture heterophilic message-passing in Graph Neural Network (GNN). By leveraging cause-effect analysis, we can discern heterophilic edges based on asymmetric node dependency. The learned causal structure offers more accurate relationships among nodes. To reduce the computational complexity, we introduce intervention-based causal inference in graph learning. We first simplify causal analysis on graphs by formulating it as a structural learning model and define the optimization problem within the Bayesian scheme. We then present an analysis of decomposing the optimization target into a consistency penalty and a structure modification based on cause-effect relations. We then estimate this target by conditional entropy and present insights into how conditional entropy quantifies the heterophily. Accordingly, we propose CausalMP, a causal message-passing discovery network for heterophilic graph learning, that iteratively learns the explicit causal structure of input graphs. We conduct extensive experiments in both heterophilic and homophilic graph settings. The result demonstrates that the our model achieves superior link prediction performance. Training on causal structure can also enhance node representation in classification task across different base models.

Chuanyue Yu, Kuo Zhao, Yuhan Li et al.

Graph Retrieval-Augmented Generation (GraphRAG) has shown great effectiveness in enhancing the reasoning abilities of LLMs by leveraging graph structures for knowledge representation and modeling complex real-world relationships. However, existing GraphRAG methods still face significant bottlenecks when handling complex problems that require multi-hop reasoning, as their query and retrieval phases are largely based on pre-defined heuristics and do not fully utilize the reasoning potentials of LLMs. To address this problem, we propose GraphRAG-R1, an adaptive GraphRAG framework by training LLMs with process-constrained outcome-based reinforcement learning (RL) to enhance the multi-hop reasoning ability. Our method can decompose complex problems, autonomously invoke retrieval tools to acquire necessary information, and perform effective reasoning. Specifically, we utilize a modified version of Group Relative Policy Optimization (GRPO) that supports rollout-with-thinking capability. Next, we design two process-constrained reward functions. To handle the shallow retrieval problem, we design a Progressive Retrieval Attenuation (PRA) reward to encourage essential retrievals. Then, to handle the over-thinking problem, we design Cost-Aware F1 (CAF) reward to balance the model performance with computational costs. We further design a phase-dependent training strategy, containing three training stages corresponding to cold start and these two rewards. Lastly, our method adopts a hybrid graph-textual retrieval to improve the reasoning capacity. Extensive experimental results demonstrate that GraphRAG-R1 boosts LLM capabilities in solving complex reasoning problems compared to state-of-the-art GraphRAG methods on both in-domain and out-of-domain datasets. Furthermore, our framework can be flexibly integrated with various existing retrieval methods, consistently delivering performance improvements.

Yifan Xie, Tao Feng, Xin Zhang et al.

Talking head synthesis with arbitrary speech audio is a crucial challenge in the field of digital humans. Recently, methods based on radiance fields have received increasing attention due to their ability to synthesize high-fidelity and identity-consistent talking heads from just a few minutes of training video. However, due to the limited scale of the training data, these methods often exhibit poor performance in audio-lip synchronization and visual quality. In this paper, we propose a novel 3D Gaussian-based method called PointTalk, which constructs a static 3D Gaussian field of the head and deforms it in sync with the audio. It also incorporates an audio-driven dynamic lip point cloud as a critical component of the conditional information, thereby facilitating the effective synthesis of talking heads. Specifically, the initial step involves generating the corresponding lip point cloud from the audio signal and capturing its topological structure. The design of the dynamic difference encoder aims to capture the subtle nuances inherent in dynamic lip movements more effectively. Furthermore, we integrate the audio-point enhancement module, which not only ensures the synchronization of the audio signal with the corresponding lip point cloud within the feature space, but also facilitates a deeper understanding of the interrelations among cross-modal conditional features. Extensive experiments demonstrate that our method achieves superior high-fidelity and audio-lip synchronization in talking head synthesis compared to previous methods.

Congzhi Zhang, Jiawei Peng, Zhenglin Wang et al.

Large Vision-Language Models (LVLMs) have shown exceptional performance in multimodal tasks, but their effectiveness in complex visual reasoning is still constrained, especially when employing Chain-of-Thought prompting techniques. In this paper, we propose VReST, a novel training-free approach that enhances Reasoning in LVLMs through Monte Carlo Tree Search and Self-Reward mechanisms. VReST meticulously traverses the reasoning landscape by establishing a search tree, where each node encapsulates a reasoning step, and each path delineates a comprehensive reasoning sequence. Our innovative multimodal Self-Reward mechanism assesses the quality of reasoning steps by integrating the utility of sub-questions, answer correctness, and the relevance of vision-language clues, all without the need for additional models. VReST surpasses current prompting methods and secures state-of-the-art performance across three multimodal mathematical reasoning benchmarks. Furthermore, it substantiates the efficacy of test-time scaling laws in multimodal tasks, offering a promising direction for future research.

Xin Zhang, Siting Huang, Xiangyang Luo et al.

Face editing modifies the appearance of face, which plays a key role in customization and enhancement of personal images. Although much work have achieved remarkable success in text-driven face editing, they still face significant challenges as none of them simultaneously fulfill the characteristics of diversity, controllability and flexibility. To address this challenge, we propose MuseFace, a text-driven face editing framework, which relies solely on text prompt to enable face editing. Specifically, MuseFace integrates a Text-to-Mask diffusion model and a semantic-aware face editing model, capable of directly generating fine-grained semantic masks from text and performing face editing. The Text-to-Mask diffusion model provides \textit{diversity} and \textit{flexibility} to the framework, while the semantic-aware face editing model ensures \textit{controllability} of the framework. Our framework can create fine-grained semantic masks, making precise face editing possible, and significantly enhancing the controllability and flexibility of face editing models. Extensive experiments demonstrate that MuseFace achieves superior high-fidelity performance.

Xin Yang, Heng Chang, Zhijian Lai et al.

Cross-Domain Recommendation (CDR) seeks to utilize knowledge from different domains to alleviate the problem of data sparsity in the target recommendation domain, and it has been gaining more attention in recent years. Although there have been notable advancements in this area, most current methods represent users and items in Euclidean space, which is not ideal for handling long-tail distributed data in recommendation systems. Additionally, adding data from other domains can worsen the long-tail characteristics of the entire dataset, making it harder to train CDR models effectively. Recent studies have shown that hyperbolic methods are particularly suitable for modeling long-tail distributions, which has led us to explore hyperbolic representations for users and items in CDR scenarios. However, due to the distinct characteristics of the different domains, applying hyperbolic representation learning to CDR tasks is quite challenging. In this paper, we introduce a new framework called Hyperbolic Contrastive Learning (HCTS), designed to capture the unique features of each domain while enabling efficient knowledge transfer between domains. We achieve this by embedding users and items from each domain separately and mapping them onto distinct hyperbolic manifolds with adjustable curvatures for prediction. To improve the representations of users and items in the target domain, we develop a hyperbolic contrastive learning module for knowledge transfer. Extensive experiments on real-world datasets demonstrate that hyperbolic manifolds are a promising alternative to Euclidean space for CDR tasks.

Beini Xie, Heng Chang, Ziwei Zhang et al.

Graph Neural Architecture Search (GNAS) has achieved superior performance on various graph-structured tasks. However, existing GNAS studies overlook the applications of GNAS in resource-constraint scenarios. This paper proposes to design a joint graph data and architecture mechanism, which identifies important sub-architectures via the valuable graph data. To search for optimal lightweight Graph Neural Networks (GNNs), we propose a Lightweight Graph Neural Architecture Search with Graph SparsIfication and Network Pruning (GASSIP) method. In particular, GASSIP comprises an operation-pruned architecture search module to enable efficient lightweight GNN search. Meanwhile, we design a novel curriculum graph data sparsification module with an architecture-aware edge-removing difficulty measurement to help select optimal sub-architectures. With the aid of two differentiable masks, we iteratively optimize these two modules to efficiently search for the optimal lightweight architecture. Extensive experiments on five benchmarks demonstrate the effectiveness of GASSIP. Particularly, our method achieves on-par or even higher node classification performance with half or fewer model parameters of searched GNNs and a sparser graph.

Shiji Zhou, Han Zhao, Shanghang Zhang et al.

Models trained with offline data often suffer from continual distribution shifts and expensive labeling in changing environments. This calls for a new online learning paradigm where the learner can continually adapt to changing environments with limited labels. In this paper, we propose a new online setting -- Online Active Continual Adaptation, where the learner aims to continually adapt to changing distributions using both unlabeled samples and active queries of limited labels. To this end, we propose Online Self-Adaptive Mirror Descent (OSAMD), which adopts an online teacher-student structure to enable online self-training from unlabeled data, and a margin-based criterion that decides whether to query the labels to track changing distributions. Theoretically, we show that, in the separable case, OSAMD has an $O({T}^{2/3})$ dynamic regret bound under mild assumptions, which is aligned with the $Ω(T^{2/3})$ lower bound of online learning algorithms with full labels. In the general case, we show a regret bound of $O({T}^{2/3} + α^* T)$, where $α^*$ denotes the separability of domains and is usually small. Our theoretical results show that OSAMD can fast adapt to changing environments with active queries. Empirically, we demonstrate that OSAMD achieves favorable regrets under changing environments with limited labels on both simulated and real-world data, which corroborates our theoretical findings.

Heng Chang, Yu Rong, Tingyang Xu et al.

With the success of the graph embedding model in both academic and industry areas, the robustness of graph embedding against adversarial attack inevitably becomes a crucial problem in graph learning. Existing works usually perform the attack in a white-box fashion: they need to access the predictions/labels to construct their adversarial loss. However, the inaccessibility of predictions/labels makes the white-box attack impractical to a real graph learning system. This paper promotes current frameworks in a more general and flexible sense -- we demand to attack various kinds of graph embedding models with black-box driven. We investigate the theoretical connections between graph signal processing and graph embedding models and formulate the graph embedding model as a general graph signal process with a corresponding graph filter. Therefore, we design a generalized adversarial attacker: GF-Attack. Without accessing any labels and model predictions, GF-Attack can perform the attack directly on the graph filter in a black-box fashion. We further prove that GF-Attack can perform an effective attack without knowing the number of layers of graph embedding models. To validate the generalization of GF-Attack, we construct the attacker on four popular graph embedding models. Extensive experiments validate the effectiveness of GF-Attack on several benchmark datasets.

Fangda Gu, Heng Chang, Wenwu Zhu et al.

Graph Neural Networks (GNNs) are widely used deep learning models that learn meaningful representations from graph-structured data. Due to the finite nature of the underlying recurrent structure, current GNN methods may struggle to capture long-range dependencies in underlying graphs. To overcome this difficulty, we propose a graph learning framework, called Implicit Graph Neural Networks (IGNN), where predictions are based on the solution of a fixed-point equilibrium equation involving implicitly defined "state" vectors. We use the Perron-Frobenius theory to derive sufficient conditions that ensure well-posedness of the framework. Leveraging implicit differentiation, we derive a tractable projected gradient descent method to train the framework. Experiments on a comprehensive range of tasks show that IGNNs consistently capture long-range dependencies and outperform the state-of-the-art GNN models.

Heng Chang, Yu Rong, Tingyang Xu et al.

Variants of Graph Neural Networks (GNNs) for representation learning have been proposed recently and achieved fruitful results in various fields. Among them, Graph Attention Network (GAT) first employs a self-attention strategy to learn attention weights for each edge in the spatial domain. However, learning the attentions over edges can only focus on the local information of graphs and greatly increases the computational costs. In this paper, we first introduce the attention mechanism in the spectral domain of graphs and present Spectral Graph Attention Network (SpGAT) that learns representations for different frequency components regarding weighted filters and graph wavelets bases. In this way, SpGAT can better capture global patterns of graphs in an efficient manner with much fewer learned parameters than that of GAT. Further, to reduce the computational cost of SpGAT brought by the eigen-decomposition, we propose a fast approximation variant SpGAT-Cheby. We thoroughly evaluate the performance of SpGAT and SpGAT-Cheby in semi-supervised node classification tasks and verify the effectiveness of the learned attentions in the spectral domain.

Heng Chang, Yu Rong, Tingyang Xu et al.

With the great success of graph embedding model on both academic and industry area, the robustness of graph embedding against adversarial attack inevitably becomes a central problem in graph learning domain. Regardless of the fruitful progress, most of the current works perform the attack in a white-box fashion: they need to access the model predictions and labels to construct their adversarial loss. However, the inaccessibility of model predictions in real systems makes the white-box attack impractical to real graph learning system. This paper promotes current frameworks in a more general and flexible sense -- we demand to attack various kinds of graph embedding model with black-box driven. To this end, we begin by investigating the theoretical connections between graph signal processing and graph embedding models in a principled way and formulate the graph embedding model as a general graph signal process with corresponding graph filter. As such, a generalized adversarial attacker: GF-Attack is constructed by the graph filter and feature matrix. Instead of accessing any knowledge of the target classifiers used in graph embedding, GF-Attack performs the attack only on the graph filter in a black-box attack fashion. To validate the generalization of GF-Attack, we construct the attacker on four popular graph embedding models. Extensive experimental results validate the effectiveness of our attacker on several benchmark datasets. Particularly by using our attack, even small graph perturbations like one-edge flip is able to consistently make a strong attack in performance to different graph embedding models.

Ming Jin, Heng Chang, Wenwu Zhu et al.

Graph convolutional networks (GCNs) are powerful tools for graph-structured data. However, they have been recently shown to be vulnerable to topological attacks. To enhance adversarial robustness, we go beyond spectral graph theory to robust graph theory. By challenging the classical graph Laplacian, we propose a new convolution operator that is provably robust in the spectral domain and is incorporated in the GCN architecture to improve expressivity and interpretability. By extending the original graph to a sequence of graphs, we also propose a robust training paradigm that encourages transferability across graphs that span a range of spatial and spectral characteristics. The proposed approaches are demonstrated in extensive experiments to simultaneously improve performance in both benign and adversarial situations.