NAS-Bench-Graph: Benchmarking Graph Neural Architecture SearchYijian Qin, Ziwei Zhang, Xin Wang et al. · tsinghua
Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the experimental setting, the empirical results in different research papers are often not comparable and even not reproducible, leading to unfair comparisons. Secondly, GraphNAS often needs extensive computations, which makes it highly inefficient and inaccessible to researchers without access to large-scale computation. To solve these challenges, we propose NAS-Bench-Graph, a tailored benchmark that supports unified, reproducible, and efficient evaluations for GraphNAS. Specifically, we construct a unified, expressive yet compact search space, covering 26,206 unique graph neural network (GNN) architectures and propose a principled evaluation protocol. To avoid unnecessary repetitive training, we have trained and evaluated all of these architectures on nine representative graph datasets, recording detailed metrics including train, validation, and test performance in each epoch, the latency, the number of parameters, etc. Based on our proposed benchmark, the performance of GNN architectures can be directly obtained by a look-up table without any further computation, which enables fair, fully reproducible, and efficient comparisons. To demonstrate its usage, we make in-depth analyses of our proposed NAS-Bench-Graph, revealing several interesting findings for GraphNAS. We also showcase how the benchmark can be easily compatible with GraphNAS open libraries such as AutoGL and NNI. To the best of our knowledge, our work is the first benchmark for graph neural architecture search.
27.0CLJul 4, 2023
Prompt Tuning Pushes Farther, Contrastive Learning Pulls Closer: A Two-Stage Approach to Mitigate Social BiasesYingji Li, Mengnan Du, Xin Wang et al.
As the representation capability of Pre-trained Language Models (PLMs) improve, there is growing concern that they will inherit social biases from unprocessed corpora. Most previous debiasing techniques used Counterfactual Data Augmentation (CDA) to balance the training corpus. However, CDA slightly modifies the original corpus, limiting the representation distance between different demographic groups to a narrow range. As a result, the debiasing model easily fits the differences between counterfactual pairs, which affects its debiasing performance with limited text resources. In this paper, we propose an adversarial training-inspired two-stage debiasing model using Contrastive learning with Continuous Prompt Augmentation (named CCPA) to mitigate social biases in PLMs' encoding. In the first stage, we propose a data augmentation method based on continuous prompt tuning to push farther the representation distance between sample pairs along different demographic groups. In the second stage, we utilize contrastive learning to pull closer the representation distance between the augmented sample pairs and then fine-tune PLMs' parameters to get debiased encoding. Our approach guides the model to achieve stronger debiasing performance by adding difficulty to the training process. Extensive experiments show that CCPA outperforms baselines in terms of debiasing performance. Meanwhile, experimental results on the GLUE benchmark show that CCPA retains the language modeling capability of PLMs.
16.5LGFeb 6, 2023
Curriculum Graph Machine Learning: A SurveyHaoyang Li, Xin Wang, Wenwu Zhu · tsinghua
Graph machine learning has been extensively studied in both academia and industry. However, in the literature, most existing graph machine learning models are designed to conduct training with data samples in a random order, which may suffer from suboptimal performance due to ignoring the importance of different graph data samples and their training orders for the model optimization status. To tackle this critical problem, curriculum graph machine learning (Graph CL), which integrates the strength of graph machine learning and curriculum learning, arises and attracts an increasing amount of attention from the research community. Therefore, in this paper, we comprehensively overview approaches on Graph CL and present a detailed survey of recent advances in this direction. Specifically, we first discuss the key challenges of Graph CL and provide its formal problem definition. Then, we categorize and summarize existing methods into three classes based on three kinds of graph machine learning tasks, i.e., node-level, link-level, and graph-level tasks. Finally, we share our thoughts on future research directions. To the best of our knowledge, this paper is the first survey for curriculum graph machine learning.
Parameter-efficient Model Adaptation for Vision TransformersXuehai He, Chunyuan Li, Pengchuan Zhang et al.
In computer vision, it has achieved great transfer learning performance via adapting large-scale pretrained vision models (e.g., vision transformers) to downstream tasks. Common approaches for model adaptation either update all model parameters or leverage linear probes. In this paper, we aim to study parameter-efficient model adaptation strategies for vision transformers on the image classification task. We formulate efficient model adaptation as a subspace training problem and perform a comprehensive benchmarking over different efficient adaptation methods. We conduct an empirical study on each efficient model adaptation method focusing on its performance alongside parameter cost. Furthermore, we propose a parameter-efficient model adaptation framework, which first selects submodules by measuring local intrinsic dimensions and then projects them into subspace for further decomposition via a novel Kronecker Adaptation (KAdaptation) method. We analyze and compare our method with a diverse set of baseline model adaptation methods (including state-of-the-art methods for pretrained language models). Our method performs the best in terms of the tradeoff between accuracy and parameter efficiency across 20 image classification datasets under the few-shot setting and 7 image classification datasets under the full-shot setting.
8.6SIAug 13, 2022
Revisiting Adversarial Attacks on Graph Neural Networks for Graph ClassificationXin 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.
26.4LGJul 22, 2022
PanGu-Coder: Program Synthesis with Function-Level Language ModelingFenia Christopoulou, Gerasimos Lampouras, Milan Gritta et al.
We present PanGu-Coder, a pretrained decoder-only language model adopting the PanGu-Alpha architecture for text-to-code generation, i.e. the synthesis of programming language solutions given a natural language problem description. We train PanGu-Coder using a two-stage strategy: the first stage employs Causal Language Modelling (CLM) to pre-train on raw programming language data, while the second stage uses a combination of Causal Language Modelling and Masked Language Modelling (MLM) training objectives that focus on the downstream task of text-to-code generation and train on loosely curated pairs of natural language program definitions and code functions. Finally, we discuss PanGu-Coder-FT, which is fine-tuned on a combination of competitive programming problems and code with continuous integration tests. We evaluate PanGu-Coder with a focus on whether it generates functionally correct programs and demonstrate that it achieves equivalent or better performance than similarly sized models, such as CodeX, while attending a smaller context window and training on less data.
Understanding Instance-Level Impact of Fairness ConstraintsJialu Wang, Xin Eric Wang, Yang Liu
A variety of fairness constraints have been proposed in the literature to mitigate group-level statistical bias. Their impacts have been largely evaluated for different groups of populations corresponding to a set of sensitive attributes, such as race or gender. Nonetheless, the community has not observed sufficient explorations for how imposing fairness constraints fare at an instance level. Building on the concept of influence function, a measure that characterizes the impact of a training example on the target model and its predictive performance, this work studies the influence of training examples when fairness constraints are imposed. We find out that under certain assumptions, the influence function with respect to fairness constraints can be decomposed into a kernelized combination of training examples. One promising application of the proposed fairness influence function is to identify suspicious training examples that may cause model discrimination by ranking their influence scores. We demonstrate with extensive experiments that training on a subset of weighty data examples leads to lower fairness violations with a trade-off of accuracy.
41.0CVApr 30, 2023
Multimodal Graph Transformer for Multimodal Question AnsweringXuehai He, Xin Eric Wang
Despite the success of Transformer models in vision and language tasks, they often learn knowledge from enormous data implicitly and cannot utilize structured input data directly. On the other hand, structured learning approaches such as graph neural networks (GNNs) that integrate prior information can barely compete with Transformer models. In this work, we aim to benefit from both worlds and propose a novel Multimodal Graph Transformer for question answering tasks that requires performing reasoning across multiple modalities. We introduce a graph-involved plug-and-play quasi-attention mechanism to incorporate multimodal graph information, acquired from text and visual data, to the vanilla self-attention as effective prior. In particular, we construct the text graph, dense region graph, and semantic graph to generate adjacency matrices, and then compose them with input vision and language features to perform downstream reasoning. Such a way of regularizing self-attention with graph information significantly improves the inferring ability and helps align features from different modalities. We validate the effectiveness of Multimodal Graph Transformer over its Transformer baselines on GQA, VQAv2, and MultiModalQA datasets.
15.5LGMar 13, 2023
A Survey of Graph Prompting Methods: Techniques, Applications, and ChallengesXuansheng Wu, Kaixiong Zhou, Mingchen Sun et al.
The recent "pre-train, prompt, predict training" paradigm has gained popularity as a way to learn generalizable models with limited labeled data. The approach involves using a pre-trained model and a prompting function that applies a template to input samples, adding indicative context and reformulating target tasks as the pre-training task. However, the design of prompts could be a challenging and time-consuming process in complex tasks. The limitation can be addressed by using graph data, as graphs serve as structured knowledge repositories by explicitly modeling the interaction between entities. In this survey, we review prompting methods from the graph perspective, where prompting functions are augmented with graph knowledge. In particular, we introduce the basic concepts of graph prompt learning, organize the existing work of designing graph prompting functions, and describe their applications and future challenges. This survey will bridge the gap between graphs and prompt design to facilitate future methodology development.
11.5LGNov 24, 2023
Out-of-Distribution Generalized Dynamic Graph Neural Network with Disentangled Intervention and Invariance PromotionZeyang Zhang, Xin Wang, Ziwei Zhang et al.
Dynamic graph neural networks (DyGNNs) have demonstrated powerful predictive abilities by exploiting graph structural and temporal dynamics. However, the existing DyGNNs fail to handle distribution shifts, which naturally exist in dynamic graphs, mainly because the patterns exploited by DyGNNs may be variant with respect to labels under distribution shifts. In this paper, we propose Disentangled Intervention-based Dynamic graph Attention networks with Invariance Promotion (I-DIDA) to handle spatio-temporal distribution shifts in dynamic graphs by discovering and utilizing invariant patterns, i.e., structures and features whose predictive abilities are stable across distribution shifts. Specifically, we first propose a disentangled spatio-temporal attention network to capture the variant and invariant patterns. By utilizing the disentangled patterns, we design a spatio-temporal intervention mechanism to create multiple interventional distributions and an environment inference module to infer the latent spatio-temporal environments, and minimize the variance of predictions among these intervened distributions and environments, so that our model can make predictions based on invariant patterns with stable predictive abilities under distribution shifts. Extensive experiments demonstrate the superiority of our method over state-of-the-art baselines under distribution shifts. Our work is the first study of spatio-temporal distribution shifts in dynamic graphs, to the best of our knowledge.
FedVLN: Privacy-preserving Federated Vision-and-Language NavigationKaiwen Zhou, Xin Eric Wang
Data privacy is a central problem for embodied agents that can perceive the environment, communicate with humans, and act in the real world. While helping humans complete tasks, the agent may observe and process sensitive information of users, such as house environments, human activities, etc. In this work, we introduce privacy-preserving embodied agent learning for the task of Vision-and-Language Navigation (VLN), where an embodied agent navigates house environments by following natural language instructions. We view each house environment as a local client, which shares nothing other than local updates with the cloud server and other clients, and propose a novel federated vision-and-language navigation (FedVLN) framework to protect data privacy during both training and pre-exploration. Particularly, we propose a decentralized training strategy to limit the data of each client to its local model training and a federated pre-exploration method to do partial model aggregation to improve model generalizability to unseen environments. Extensive results on R2R and RxR datasets show that under our FedVLN framework, decentralized VLN models achieve comparable results with centralized training while protecting seen environment privacy, and federated pre-exploration significantly outperforms centralized pre-exploration while preserving unseen environment privacy.
5.9CVNov 8, 2023
Lightweight Diffusion Models with Distillation-Based Block Neural Architecture SearchSiao Tang, Xin Wang, Hong Chen et al.
Diffusion models have recently shown remarkable generation ability, achieving state-of-the-art performance in many tasks. However, the high computational cost is still a troubling problem for diffusion models. To tackle this problem, we propose to automatically remove the structural redundancy in diffusion models with our proposed Diffusion Distillation-based Block-wise Neural Architecture Search (DiffNAS). Specifically, given a larger pretrained teacher, we leverage DiffNAS to search for the smallest architecture which can achieve on-par or even better performance than the teacher. Considering current diffusion models are based on UNet which naturally has a block-wise structure, we perform neural architecture search independently in each block, which largely reduces the search space. Different from previous block-wise NAS methods, DiffNAS contains a block-wise local search strategy and a retraining strategy with a joint dynamic loss. Concretely, during the search process, we block-wisely select the best subnet to avoid the unfairness brought by the global search strategy used in previous works. When retraining the searched architecture, we adopt a dynamic joint loss to maintain the consistency between supernet training and subnet retraining, which also provides informative objectives for each block and shortens the paths of gradient propagation. We demonstrate this joint loss can effectively improve model performance. We also prove the necessity of the dynamic adjustment of this loss. The experiments show that our method can achieve significant computational reduction, especially on latent diffusion models with about 50\% MACs and Parameter reduction.
40.7CVMay 21, 2025Code
GRIT: Teaching MLLMs to Think with ImagesYue Fan, Xuehai He, Diji Yang et al.
Recent studies have demonstrated the efficacy of using Reinforcement Learning (RL) in building reasoning models that articulate chains of thoughts prior to producing final answers. However, despite ongoing advances that aim at enabling reasoning for vision-language tasks, existing open-source visual reasoning models typically generate reasoning content with pure natural language, lacking explicit integration of visual information. This limits their ability to produce clearly articulated and visually grounded reasoning chains. To this end, we propose Grounded Reasoning with Images and Texts (GRIT), a novel method for training MLLMs to think with images. GRIT introduces a grounded reasoning paradigm, in which models generate reasoning chains that interleave natural language and explicit bounding box coordinates. These coordinates point to regions of the input image that the model consults during its reasoning process. Additionally, GRIT is equipped with a reinforcement learning approach, GRPO-GR, built upon the GRPO algorithm. GRPO-GR employs robust rewards focused on the final answer accuracy and format of the grounded reasoning output, which eliminates the need for data with reasoning chain annotations or explicit bounding box labels. As a result, GRIT achieves exceptional data efficiency, requiring as few as 20 image-question-answer triplets from existing datasets. Comprehensive evaluations demonstrate that GRIT effectively trains MLLMs to produce coherent and visually grounded reasoning chains, showing a successful unification of reasoning and grounding abilities.
VERIFIED: A Video Corpus Moment Retrieval Benchmark for Fine-Grained Video UnderstandingHoulun Chen, Xin Wang, Hong Chen et al.
Existing Video Corpus Moment Retrieval (VCMR) is limited to coarse-grained understanding, which hinders precise video moment localization when given fine-grained queries. In this paper, we propose a more challenging fine-grained VCMR benchmark requiring methods to localize the best-matched moment from the corpus with other partially matched candidates. To improve the dataset construction efficiency and guarantee high-quality data annotations, we propose VERIFIED, an automatic \underline{V}id\underline{E}o-text annotation pipeline to generate captions with \underline{R}el\underline{I}able \underline{FI}n\underline{E}-grained statics and \underline{D}ynamics. Specifically, we resort to large language models (LLM) and large multimodal models (LMM) with our proposed Statics and Dynamics Enhanced Captioning modules to generate diverse fine-grained captions for each video. To filter out the inaccurate annotations caused by the LLM hallucination, we propose a Fine-Granularity Aware Noise Evaluator where we fine-tune a video foundation model with disturbed hard-negatives augmented contrastive and matching losses. With VERIFIED, we construct a more challenging fine-grained VCMR benchmark containing Charades-FIG, DiDeMo-FIG, and ActivityNet-FIG which demonstrate a high level of annotation quality. We evaluate several state-of-the-art VCMR models on the proposed dataset, revealing that there is still significant scope for fine-grained video understanding in VCMR. Code and Datasets are in \href{https://github.com/hlchen23/VERIFIED}{https://github.com/hlchen23/VERIFIED}.
Diffusion-empowered AutoPrompt MedSAMPeng Huang, Shu Hu, Bo Peng et al.
MedSAM, a medical foundation model derived from the SAM architecture, has demonstrated notable success across diverse medical domains. However, its clinical application faces two major challenges: the dependency on labor-intensive manual prompt generation, which imposes a significant burden on clinicians, and the absence of semantic labeling in the generated segmentation masks for organs or lesions, limiting its practicality for non-expert users. To address these limitations, we propose AutoMedSAM, an end-to-end framework derived from SAM, designed to enhance usability and segmentation performance. AutoMedSAM retains MedSAM's image encoder and mask decoder structure while introducing a novel diffusion-based class prompt encoder. The diffusion-based encoder employs a dual-decoder structure to collaboratively generate prompt embeddings guided by sparse and dense prompt definitions. These embeddings enhance the model's ability to understand and process clinical imagery autonomously. With this encoder, AutoMedSAM leverages class prompts to embed semantic information into the model's predictions, transforming MedSAM's semi-automated pipeline into a fully automated workflow. Furthermore, AutoMedSAM employs an uncertainty-aware joint optimization strategy during training to effectively inherit MedSAM's pre-trained knowledge while improving generalization by integrating multiple loss functions. Experimental results across diverse datasets demonstrate that AutoMedSAM achieves superior performance while broadening its applicability to both clinical settings and non-expert users. Code is available at https://github.com/HP-ML/AutoPromptMedSAM.git.
ReactDiff: Latent Diffusion for Facial Reaction GenerationJiaming Li, Sheng Wang, Xin Wang et al.
Given the audio-visual clip of the speaker, facial reaction generation aims to predict the listener's facial reactions. The challenge lies in capturing the relevance between video and audio while balancing appropriateness, realism, and diversity. While prior works have mostly focused on uni-modal inputs or simplified reaction mappings, recent approaches such as PerFRDiff have explored multi-modal inputs and the one-to-many nature of appropriate reaction mappings. In this work, we propose the Facial Reaction Diffusion (ReactDiff) framework that uniquely integrates a Multi-Modality Transformer with conditional diffusion in the latent space for enhanced reaction generation. Unlike existing methods, ReactDiff leverages intra- and inter-class attention for fine-grained multi-modal interaction, while the latent diffusion process between the encoder and decoder enables diverse yet contextually appropriate outputs. Experimental results demonstrate that ReactDiff significantly outperforms existing approaches, achieving a facial reaction correlation of 0.26 and diversity score of 0.094 while maintaining competitive realism. The code is open-sourced at \href{https://github.com/Hunan-Tiger/ReactDiff}{github}.
Automated Graph Machine Learning: Approaches, Libraries, Benchmarks and DirectionsXin Wang, Ziwei Zhang, Haoyang Li et al.
Graph machine learning has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To tackle the challenge, automated graph machine learning, which aims at discovering the best hyper-parameter and neural architecture configuration for different graph tasks/data without manual design, is gaining an increasing number of attentions from the research community. In this paper, we extensively discuss automated graph machine learning approaches, covering hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We briefly overview existing libraries designed for either graph machine learning or automated machine learning respectively, and further in depth introduce AutoGL, our dedicated and the world's first open-source library for automated graph machine learning. Also, we describe a tailored benchmark that supports unified, reproducible, and efficient evaluations. Last but not least, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive discussion of approaches, libraries as well as directions for automated graph machine learning.
4.1LGJan 26, 2025
Mamba-Based Graph Convolutional Networks: Tackling Over-smoothing with Selective State SpaceXin He, Yili Wang, Wenqi Fan et al.
Graph Neural Networks (GNNs) have shown great success in various graph-based learning tasks. However, it often faces the issue of over-smoothing as the model depth increases, which causes all node representations to converge to a single value and become indistinguishable. This issue stems from the inherent limitations of GNNs, which struggle to distinguish the importance of information from different neighborhoods. In this paper, we introduce MbaGCN, a novel graph convolutional architecture that draws inspiration from the Mamba paradigm-originally designed for sequence modeling. MbaGCN presents a new backbone for GNNs, consisting of three key components: the Message Aggregation Layer, the Selective State Space Transition Layer, and the Node State Prediction Layer. These components work in tandem to adaptively aggregate neighborhood information, providing greater flexibility and scalability for deep GNN models. While MbaGCN may not consistently outperform all existing methods on each dataset, it provides a foundational framework that demonstrates the effective integration of the Mamba paradigm into graph representation learning. Through extensive experiments on benchmark datasets, we demonstrate that MbaGCN paves the way for future advancements in graph neural network research.
4.1LGSep 10, 2025
Data Skeleton Learning: Scalable Active Clustering with Sparse Graph StructuresWen-Bo Xie, Xun Fu, Bin Chen et al.
In this work, we focus on the efficiency and scalability of pairwise constraint-based active clustering, crucial for processing large-scale data in applications such as data mining, knowledge annotation, and AI model pre-training. Our goals are threefold: (1) to reduce computational costs for iterative clustering updates; (2) to enhance the impact of user-provided constraints to minimize annotation requirements for precise clustering; and (3) to cut down memory usage in practical deployments. To achieve these aims, we propose a graph-based active clustering algorithm that utilizes two sparse graphs: one for representing relationships between data (our proposed data skeleton) and another for updating this data skeleton. These two graphs work in concert, enabling the refinement of connected subgraphs within the data skeleton to create nested clusters. Our empirical analysis confirms that the proposed algorithm consistently facilitates more accurate clustering with dramatically less input of user-provided constraints, and outperforms its counterparts in terms of computational performance and scalability, while maintaining robustness across various distance metrics.
Read Anywhere Pointed: Layout-aware GUI Screen Reading with Tree-of-Lens GroundingYue Fan, Lei Ding, Ching-Chen Kuo et al.
Graphical User Interfaces (GUIs) are central to our interaction with digital devices and growing efforts have been made to build models for various GUI understanding tasks. However, these efforts largely overlook an important GUI-referring task: screen reading based on user-indicated points, which we name the Screen Point-and-Read (ScreenPR) task. Currently, this task is predominantly handled by rigid accessible screen reading tools, in great need of new models driven by advancements in Multimodal Large Language Models (MLLMs). In this paper, we propose a Tree-of-Lens (ToL) agent, utilizing a novel ToL grounding mechanism, to address the ScreenPR task. Based on the input point coordinate and the corresponding GUI screenshot, our ToL agent constructs a Hierarchical Layout Tree. Based on the tree, our ToL agent not only comprehends the content of the indicated area but also articulates the layout and spatial relationships between elements. Such layout information is crucial for accurately interpreting information on the screen, distinguishing our ToL agent from other screen reading tools. We also thoroughly evaluate the ToL agent against other baselines on a newly proposed ScreenPR benchmark, which includes GUIs from mobile, web, and operating systems. Last but not least, we test the ToL agent on mobile GUI navigation tasks, demonstrating its utility in identifying incorrect actions along the path of agent execution trajectories. Code and data: https://screen-point-and-read.github.io
Is A Picture Worth A Thousand Words? Delving Into Spatial Reasoning for Vision Language ModelsJiayu Wang, Yifei Ming, Zhenmei Shi et al.
Large language models (LLMs) and vision-language models (VLMs) have demonstrated remarkable performance across a wide range of tasks and domains. Despite this promise, spatial understanding and reasoning -- a fundamental component of human cognition -- remains under-explored. We propose SpatialEval, a novel benchmark that covers diverse aspects of spatial reasoning such as relationship understanding, navigation, and counting. We conduct a comprehensive evaluation of competitive language and vision-language models. Our findings reveal several counter-intuitive insights that have been overlooked in the literature: (1) Spatial reasoning poses significant challenges where competitive models can fall behind random guessing; (2) Despite additional visual input, VLMs often under-perform compared to their LLM counterparts; (3) When both textual and visual information is available, multi-modal language models become less reliant on visual information if sufficient textual clues are provided. Additionally, we demonstrate that leveraging redundancy between vision and text can significantly enhance model performance. We hope our study will inform the development of multimodal models to improve spatial intelligence and further close the gap with human intelligence.
24.6LGDec 7, 2021
OOD-GNN: Out-of-Distribution Generalized Graph Neural NetworkHaoyang Li, Xin Wang, Ziwei Zhang et al.
Graph neural networks (GNNs) have achieved impressive performance when testing and training graph data come from identical distribution. However, existing GNNs lack out-of-distribution generalization abilities so that their performance substantially degrades when there exist distribution shifts between testing and training graph data. To solve this problem, in this work, we propose an out-of-distribution generalized graph neural network (OOD-GNN) for achieving satisfactory performance on unseen testing graphs that have different distributions with training graphs. Our proposed OOD-GNN employs a novel nonlinear graph representation decorrelation method utilizing random Fourier features, which encourages the model to eliminate the statistical dependence between relevant and irrelevant graph representations through iteratively optimizing the sample graph weights and graph encoder. We further present a global weight estimator to learn weights for training graphs such that variables in graph representations are forced to be independent. The learned weights help the graph encoder to get rid of spurious correlations and, in turn, concentrate more on the true connection between learned discriminative graph representations and their ground-truth labels. We conduct extensive experiments to validate the out-of-distribution generalization abilities on two synthetic and 12 real-world datasets with distribution shifts. The results demonstrate that our proposed OOD-GNN significantly outperforms state-of-the-art baselines.
11.3LGOct 28, 2021
CAP: Co-Adversarial Perturbation on Weights and Features for Improving Generalization of Graph Neural NetworksHaotian Xue, Kaixiong Zhou, Tianlong Chen et al.
Despite the recent advances of graph neural networks (GNNs) in modeling graph data, the training of GNNs on large datasets is notoriously hard due to the overfitting. Adversarial training, which augments data with the worst-case adversarial examples, has been widely demonstrated to improve model's robustness against adversarial attacks and generalization ability. However, while the previous adversarial training generally focuses on protecting GNNs from spiteful attacks, it remains unclear how the adversarial training could improve the generalization abilities of GNNs in the graph analytics problem. In this paper, we investigate GNNs from the lens of weight and feature loss landscapes, i.e., the loss changes with respect to model weights and node features, respectively. We draw the conclusion that GNNs are prone to falling into sharp local minima in these two loss landscapes, where GNNs possess poor generalization performances. To tackle this problem, we construct the co-adversarial perturbation (CAP) optimization problem in terms of weights and features, and design the alternating adversarial perturbation algorithm to flatten the weight and feature loss landscapes alternately. Furthermore, we divide the training process into two stages: one conducting the standard cross-entropy minimization to ensure the quick convergence of GNN models, the other applying our alternating adversarial training to avoid falling into locally sharp minima. The extensive experiments demonstrate our CAP can generally improve the generalization performance of GNNs on a variety of benchmark graph datasets.
Are Gender-Neutral Queries Really Gender-Neutral? Mitigating Gender Bias in Image SearchJialu Wang, Yang Liu, Xin Eric Wang
Internet search affects people's cognition of the world, so mitigating biases in search results and learning fair models is imperative for social good. We study a unique gender bias in image search in this work: the search images are often gender-imbalanced for gender-neutral natural language queries. We diagnose two typical image search models, the specialized model trained on in-domain datasets and the generalized representation model pre-trained on massive image and text data across the internet. Both models suffer from severe gender bias. Therefore, we introduce two novel debiasing approaches: an in-processing fair sampling method to address the gender imbalance issue for training models, and a post-processing feature clipping method base on mutual information to debias multimodal representations of pre-trained models. Extensive experiments on MS-COCO and Flickr30K benchmarks show that our methods significantly reduce the gender bias in image search models.
7.9LGJun 8, 2020
Eigen-GNN: A Graph Structure Preserving Plug-in for GNNsZiwei Zhang, Peng Cui, Jian Pei et al.
Graph Neural Networks (GNNs) are emerging machine learning models on graphs. Although sufficiently deep GNNs are shown theoretically capable of fully preserving graph structures, most existing GNN models in practice are shallow and essentially feature-centric. We show empirically and analytically that the existing shallow GNNs cannot preserve graph structures well. To overcome this fundamental challenge, we propose Eigen-GNN, a simple yet effective and general plug-in module to boost GNNs ability in preserving graph structures. Specifically, we integrate the eigenspace of graph structures with GNNs by treating GNNs as a type of dimensionality reduction and expanding the initial dimensionality reduction bases. Without needing to increase depths, Eigen-GNN possesses more flexibilities in handling both feature-driven and structure-driven tasks since the initial bases contain both node features and graph structures. We present extensive experimental results to demonstrate the effectiveness of Eigen-GNN for tasks including node classification, link prediction, and graph isomorphism tests.