Peng Cui

Wangchunshu Zhou, Yuchen Eleanor Jiang, Long Li et al.

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language interfaces. We consider language agents as a promising direction towards artificial general intelligence and release Agents, an open-source library with the goal of opening up these advances to a wider non-specialist audience. Agents is carefully engineered to support important features including planning, memory, tool usage, multi-agent communication, and fine-grained symbolic control. Agents is user-friendly as it enables non-specialists to build, customize, test, tune, and deploy state-of-the-art autonomous language agents without much coding. The library is also research-friendly as its modularized design makes it easily extensible for researchers. Agents is available at https://github.com/aiwaves-cn/agents.

Xiao Zhou, Yong Lin, Renjie Pi et al.

Distributionally robust optimization (DRO) and invariant risk minimization (IRM) are two popular methods proposed to improve out-of-distribution (OOD) generalization performance of machine learning models. While effective for small models, it has been observed that these methods can be vulnerable to overfitting with large overparameterized models. This work proposes a principled method, \textbf{M}odel \textbf{A}gnostic sam\textbf{PL}e r\textbf{E}weighting (\textbf{MAPLE}), to effectively address OOD problem, especially in overparameterized scenarios. Our key idea is to find an effective reweighting of the training samples so that the standard empirical risk minimization training of a large model on the weighted training data leads to superior OOD generalization performance. The overfitting issue is addressed by considering a bilevel formulation to search for the sample reweighting, in which the generalization complexity depends on the search space of sample weights instead of the model size. We present theoretical analysis in linear case to prove the insensitivity of MAPLE to model size, and empirically verify its superiority in surpassing state-of-the-art methods by a large margin. Code is available at \url{https://github.com/x-zho14/MAPLE}.

Jiashuo Liu, Jiayun Wu, Jie Peng et al.

Enhancing the stability of machine learning algorithms under distributional shifts is at the heart of the Out-of-Distribution (OOD) Generalization problem. Derived from causal learning, recent works of invariant learning pursue strict invariance with multiple training environments. Although intuitively reasonable, strong assumptions on the availability and quality of environments are made to learn the strict invariance property. In this work, we come up with the ``distributional stability" notion to mitigate such limitations. It quantifies the stability of prediction mechanisms among sub-populations down to a prescribed scale. Based on this, we propose the learnability assumption and derive the generalization error bound under distribution shifts. Inspired by theoretical analyses, we propose our novel stable risk minimization (SRM) algorithm to enhance the model's stability w.r.t. shifts in prediction mechanisms ($Y|X$-shifts). Experimental results are consistent with our intuition and validate the effectiveness of our algorithm. The code can be found at https://github.com/LJSthu/SRM.

Bingzhe Wu, Jintang Li, Junchi Yu et al.

Deep graph learning has achieved remarkable progresses in both business and scientific areas ranging from finance and e-commerce, to drug and advanced material discovery. Despite these progresses, how to ensure various deep graph learning algorithms behave in a socially responsible manner and meet regulatory compliance requirements becomes an emerging problem, especially in risk-sensitive domains. Trustworthy graph learning (TwGL) aims to solve the above problems from a technical viewpoint. In contrast to conventional graph learning research which mainly cares about model performance, TwGL considers various reliability and safety aspects of the graph learning framework including but not limited to robustness, explainability, and privacy. In this survey, we provide a comprehensive review of recent leading approaches in the TwGL field from three dimensions, namely, reliability, explainability, and privacy protection. We give a general categorization for existing work and review typical work for each category. To give further insights for TwGL research, we provide a unified view to inspect previous works and build the connection between them. We also point out some important open problems remaining to be solved in the future developments of TwGL.

Xingxuan Zhang, Renzhe Xu, Han Yu et al. · tsinghua

Recently, flat minima are proven to be effective for improving generalization and sharpness-aware minimization (SAM) achieves state-of-the-art performance. Yet the current definition of flatness discussed in SAM and its follow-ups are limited to the zeroth-order flatness (i.e., the worst-case loss within a perturbation radius). We show that the zeroth-order flatness can be insufficient to discriminate minima with low generalization error from those with high generalization error both when there is a single minimum or multiple minima within the given perturbation radius. Thus we present first-order flatness, a stronger measure of flatness focusing on the maximal gradient norm within a perturbation radius which bounds both the maximal eigenvalue of Hessian at local minima and the regularization function of SAM. We also present a novel training procedure named Gradient norm Aware Minimization (GAM) to seek minima with uniformly small curvature across all directions. Experimental results show that GAM improves the generalization of models trained with current optimizers such as SGD and AdamW on various datasets and networks. Furthermore, we show that GAM can help SAM find flatter minima and achieve better generalization.

Peng Cui, Yang Yue, Zhijie Deng et al.

Deep neural networks (DNNs) have achieved remarkable success in a variety of computer vision tasks, where massive labeled images are routinely required for model optimization. Yet, the data collected from the open world are unavoidably polluted by noise, which may significantly undermine the efficacy of the learned models. Various attempts have been made to reliably train DNNs under data noise, but they separately account for either the noise existing in the labels or that existing in the images. A naive combination of the two lines of works would suffer from the limitations in both sides, and miss the opportunities to handle the two kinds of noise in parallel. This work provides a first, unified framework for reliable learning under the joint (image, label)-noise. Technically, we develop a confidence-based sample filter to progressively filter out noisy data without the need of pre-specifying noise ratio. Then, we penalize the model uncertainty of the detected noisy data instead of letting the model continue over-fitting the misleading information in them. Experimental results on various challenging synthetic and real-world noisy datasets verify that the proposed method can outperform competing baselines in the aspect of classification performance.

Peng Cui, Dan Zhang, Zhijie Deng et al.

Large-scale pre-trained models have achieved remarkable success in many applications, but how to leverage them to improve the prediction reliability of downstream models is undesirably under-explored. Moreover, modern neural networks have been found to be poorly calibrated and make overconfident predictions regardless of inherent sample difficulty and data uncertainty. To address this issue, we propose to utilize large-scale pre-trained models to guide downstream model training with sample difficulty-aware entropy regularization. Pre-trained models that have been exposed to large-scale datasets and do not overfit the downstream training classes enable us to measure each training sample's difficulty via feature-space Gaussian modeling and relative Mahalanobis distance computation. Importantly, by adaptively penalizing overconfident prediction based on the sample difficulty, we simultaneously improve accuracy and uncertainty calibration across challenging benchmarks (e.g., +0.55% ACC and -3.7% ECE on ImageNet1k using ResNet34), consistently surpassing competitive baselines for reliable prediction. The improved uncertainty estimate further improves selective classification (abstaining from erroneous predictions) and out-of-distribution detection.

Xingxuan Zhang, Yue He, Renzhe Xu et al.

Despite the remarkable performance that modern deep neural networks have achieved on independent and identically distributed (I.I.D.) data, they can crash under distribution shifts. Most current evaluation methods for domain generalization (DG) adopt the leave-one-out strategy as a compromise on the limited number of domains. We propose a large-scale benchmark with extensive labeled domains named NICO++ along with more rational evaluation methods for comprehensively evaluating DG algorithms. To evaluate DG datasets, we propose two metrics to quantify covariate shift and concept shift, respectively. Two novel generalization bounds from the perspective of data construction are proposed to prove that limited concept shift and significant covariate shift favor the evaluation capability for generalization. Through extensive experiments, NICO++ shows its superior evaluation capability compared with current DG datasets and its contribution in alleviating unfairness caused by the leak of oracle knowledge in model selection.

Ming Tong, Yongzhen Wang, Peng Cui et al.

Image dehazing is fundamental yet not well-solved in computer vision. Most cutting-edge models are trained in synthetic data, leading to the poor performance on real-world hazy scenarios. Besides, they commonly give deterministic dehazed images while neglecting to mine their uncertainty. To bridge the domain gap and enhance the dehazing performance, we propose a novel semi-supervised uncertainty-aware transformer network, called Semi-UFormer. Semi-UFormer can well leverage both the real-world hazy images and their uncertainty guidance information. Specifically, Semi-UFormer builds itself on the knowledge distillation framework. Such teacher-student networks effectively absorb real-world haze information for quality dehazing. Furthermore, an uncertainty estimation block is introduced into the model to estimate the pixel uncertainty representations, which is then used as a guidance signal to help the student network produce haze-free images more accurately. Extensive experiments demonstrate that Semi-UFormer generalizes well from synthetic to real-world images.

Renzhe Xu, Xingxuan Zhang, Bo Li et al.

Product ranking is the core problem for revenue-maximizing online retailers. To design proper product ranking algorithms, various consumer choice models are proposed to characterize the consumers' behaviors when they are provided with a list of products. However, existing works assume that each consumer purchases at most one product or will keep viewing the product list after purchasing a product, which does not agree with the common practice in real scenarios. In this paper, we assume that each consumer can purchase multiple products at will. To model consumers' willingness to view and purchase, we set a random attention span and purchase budget, which determines the maximal amount of products that he/she views and purchases, respectively. Under this setting, we first design an optimal ranking policy when the online retailer can precisely model consumers' behaviors. Based on the policy, we further develop the Multiple-Purchase-with-Budget UCB (MPB-UCB) algorithms with $Õ(\sqrt{T})$ regret that estimate consumers' behaviors and maximize revenue simultaneously in online settings. Experiments on both synthetic and semi-synthetic datasets prove the effectiveness of the proposed algorithms.

Guande He, Peng Cui, Jianfei Chen et al.

Despite the significant progress made in practical applications of aligned language models (LMs), they tend to be overconfident in output answers compared to the corresponding pre-trained LMs. In this work, we systematically evaluate the impact of the alignment process on logit-based uncertainty calibration of LMs under the multiple-choice setting. We first conduct a thoughtful empirical study on how aligned LMs differ in calibration from their pre-trained counterparts. Experimental results reveal that there are two distinct uncertainties in LMs under the multiple-choice setting, which are responsible for the answer decision and the format preference of the LMs, respectively. Then, we investigate the role of these two uncertainties on aligned LM's calibration through fine-tuning in simple synthetic alignment schemes and conclude that one reason for aligned LMs' overconfidence is the conflation of these two types of uncertainty. Furthermore, we examine the utility of common post-hoc calibration methods for aligned LMs and propose an easy-to-implement and sample-efficient method to calibrate aligned LMs. We hope our findings could provide insights into the design of more reliable alignment processes for LMs.

Jiashuo Liu, Jiayun Wu, Bo Li et al.

As an intrinsic and fundamental property of big data, data heterogeneity exists in a variety of real-world applications, such as precision medicine, autonomous driving, financial applications, etc. For machine learning algorithms, the ignorance of data heterogeneity will greatly hurt the generalization performance and the algorithmic fairness, since the prediction mechanisms among different sub-populations are likely to differ from each other. In this work, we focus on the data heterogeneity that affects the prediction of machine learning models, and firstly propose the \emph{usable predictive heterogeneity}, which takes into account the model capacity and computational constraints. We prove that it can be reliably estimated from finite data with probably approximately correct (PAC) bounds. Additionally, we design a bi-level optimization algorithm to explore the usable predictive heterogeneity from data. Empirically, the explored heterogeneity provides insights for sub-population divisions in income prediction, crop yield prediction and image classification tasks, and leveraging such heterogeneity benefits the out-of-distribution generalization performance.

Zhijie Deng, Jiaxin Shi, Hao Zhang et al.

This paper introduces a structured, adaptive-length deep representation called Neural Eigenmap. Unlike prior spectral methods such as Laplacian Eigenmap that operate in a nonparametric manner, Neural Eigenmap leverages NeuralEF to parametrically model eigenfunctions using a neural network. We show that, when the eigenfunction is derived from positive relations in a data augmentation setup, applying NeuralEF results in an objective function that resembles those of popular self-supervised learning methods, with an additional symmetry-breaking property that leads to \emph{structured} representations where features are ordered by importance. We demonstrate using such representations as adaptive-length codes in image retrieval systems. By truncation according to feature importance, our method requires up to $16\times$ shorter representation length than leading self-supervised learning ones to achieve similar retrieval performance. We further apply our method to graph data and report strong results on a node representation learning benchmark with more than one million nodes.

Xingxuan Zhang, Zekai Xu, Renzhe Xu et al.

Despite the striking performance achieved by modern detectors when training and test data are sampled from the same or similar distribution, the generalization ability of detectors under unknown distribution shifts remains hardly studied. Recently several works discussed the detectors' adaptation ability to a specific target domain which are not readily applicable in real-world applications since detectors may encounter various environments or situations while pre-collecting all of them before training is inconceivable. In this paper, we study the critical problem, domain generalization in object detection (DGOD), where detectors are trained with source domains and evaluated on unknown target domains. To thoroughly evaluate detectors under unknown distribution shifts, we formulate the DGOD problem and propose a comprehensive evaluation benchmark to fill the vacancy. Moreover, we propose a novel method named Region Aware Proposal reweighTing (RAPT) to eliminate dependence within RoI features. Extensive experiments demonstrate that current DG methods fail to address the DGOD problem and our method outperforms other state-of-the-art counterparts.

Han Yu, Peng Cui, Yue He et al.

The problem of covariate-shift generalization has attracted intensive research attention. Previous stable learning algorithms employ sample reweighting schemes to decorrelate the covariates when there is no explicit domain information about training data. However, with finite samples, it is difficult to achieve the desirable weights that ensure perfect independence to get rid of the unstable variables. Besides, decorrelating within stable variables may bring about high variance of learned models because of the over-reduced effective sample size. A tremendous sample size is required for these algorithms to work. In this paper, with theoretical justification, we propose SVI (Sparse Variable Independence) for the covariate-shift generalization problem. We introduce sparsity constraint to compensate for the imperfectness of sample reweighting under the finite-sample setting in previous methods. Furthermore, we organically combine independence-based sample reweighting and sparsity-based variable selection in an iterative way to avoid decorrelating within stable variables, increasing the effective sample size to alleviate variance inflation. Experiments on both synthetic and real-world datasets demonstrate the improvement of covariate-shift generalization performance brought by SVI.

Han Yu, Jiashuo Liu, Xingxuan Zhang et al.

Machine learning models, while progressively advanced, rely heavily on the IID assumption, which is often unfulfilled in practice due to inevitable distribution shifts. This renders them susceptible and untrustworthy for deployment in risk-sensitive applications. Such a significant problem has consequently spawned various branches of works dedicated to developing algorithms capable of Out-of-Distribution (OOD) generalization. Despite these efforts, much less attention has been paid to the evaluation of OOD generalization, which is also a complex and fundamental problem. Its goal is not only to assess whether a model's OOD generalization capability is strong or not, but also to evaluate where a model generalizes well or poorly. This entails characterizing the types of distribution shifts that a model can effectively address, and identifying the safe and risky input regions given a model. This paper serves as the first effort to conduct a comprehensive review of OOD evaluation. We categorize existing research into three paradigms: OOD performance testing, OOD performance prediction, and OOD intrinsic property characterization, according to the availability of test data. Additionally, we briefly discuss OOD evaluation in the context of pretrained models. In closing, we propose several promising directions for future research in OOD evaluation.

Shixuan Liu, Yue He, Haotian Wang et al.

Data-driven methods offer efficient and robust solutions for analyzing complex dynamical systems but rely on the assumption of I.I.D. data, driving the development of generalization techniques for handling environmental differences. These techniques, however, are limited by their dependence on environment labels, which are often unavailable during training due to data acquisition challenges, privacy concerns, and environmental variability, particularly in large public datasets and privacy-sensitive domains. In response, we propose DynaInfer, a novel method that infers environment specifications by analyzing prediction errors from fixed neural networks within each training round, enabling environment assignments directly from data. We prove our algorithm effectively solves the alternating optimization problem in unlabeled scenarios and validate it through extensive experiments across diverse dynamical systems. Results show that DynaInfer outperforms existing environment assignment techniques, converges rapidly to true labels, and even achieves superior performance when environment labels are available.

Weihuang Zheng, Jiashuo Liu, Jiaxing Li et al.

Graph Neural Networks (GNNs) are widely used for node classification tasks but often fail to generalize when training and test nodes come from different distributions, limiting their practicality. To overcome this, recent approaches adopt invariant learning techniques from the out-of-distribution (OOD) generalization field, which seek to establish stable prediction methods across environments. However, the applicability of these invariant assumptions to graph data remains unverified, and such methods often lack solid theoretical support. In this work, we introduce the Topology-Aware Dynamic Reweighting (TAR) framework, which dynamically adjusts sample weights through gradient flow in the geometric Wasserstein space during training. Instead of relying on strict invariance assumptions, we prove that our method is able to provide distributional robustness, thereby enhancing the out-of-distribution generalization performance on graph data. By leveraging the inherent graph structure, TAR effectively addresses distribution shifts. Our framework's superiority is demonstrated through standard testing on four graph OOD datasets and three class-imbalanced node classification datasets, exhibiting marked improvements over existing methods.

Jose Blanchet, Peng Cui, Jiajin Li et al.

The performance of learning models often deteriorates when deployed in out-of-sample environments. To ensure reliable deployment, we propose a stability evaluation criterion based on distributional perturbations. Conceptually, our stability evaluation criterion is defined as the minimal perturbation required on our observed dataset to induce a prescribed deterioration in risk evaluation. In this paper, we utilize the optimal transport (OT) discrepancy with moment constraints on the \textit{(sample, density)} space to quantify this perturbation. Therefore, our stability evaluation criterion can address both \emph{data corruptions} and \emph{sub-population shifts} -- the two most common types of distribution shifts in real-world scenarios. To further realize practical benefits, we present a series of tractable convex formulations and computational methods tailored to different classes of loss functions. The key technical tool to achieve this is the strong duality theorem provided in this paper. Empirically, we validate the practical utility of our stability evaluation criterion across a host of real-world applications. These empirical studies showcase the criterion's ability not only to compare the stability of different learning models and features but also to provide valuable guidelines and strategies to further improve models.

Zheyan Shen, Han Yu, Peng Cui et al.

To ensure the out-of-distribution (OOD) generalization performance, traditional domain generalization (DG) methods resort to training on data from multiple sources with different underlying distributions. And the success of those DG methods largely depends on the fact that there are diverse training distributions. However, it usually needs great efforts to obtain enough heterogeneous data due to the high expenses, privacy issues or the scarcity of data. Thus an interesting yet seldom investigated problem arises: how to improve the OOD generalization performance when the perceived heterogeneity is limited. In this paper, we instantiate a new framework called few-domain generalization (FDG), which aims to learn a generalizable model from very few domains of novel tasks with the knowledge acquired from previous learning experiences on base tasks. Moreover, we propose a Meta Adaptive Task Sampling (MATS) procedure to differentiate base tasks according to their semantic and domain-shift similarity to the novel task. Empirically, we show that the newly introduced FDG framework can substantially improve the OOD generalization performance on the novel task and further combining MATS with episodic training could outperform several state-of-the-art DG baselines on widely used benchmarks like PACS and DomainNet.

Han Yu, Xingxuan Zhang, Renzhe Xu et al.

Domain generalization aims to solve the challenge of Out-of-Distribution (OOD) generalization by leveraging common knowledge learned from multiple training domains to generalize to unseen test domains. To accurately evaluate the OOD generalization ability, it is required that test data information is unavailable. However, the current domain generalization protocol may still have potential test data information leakage. This paper examines the risks of test data information leakage from two aspects of the current evaluation protocol: supervised pretraining on ImageNet and oracle model selection. We propose modifications to the current protocol that we should employ self-supervised pretraining or train from scratch instead of employing the current supervised pretraining, and we should use multiple test domains. These would result in a more precise evaluation of OOD generalization ability. We also rerun the algorithms with the modified protocol and introduce new leaderboards to encourage future research in domain generalization with a fairer comparison.

Zimu Wang, Jiashuo Liu, Hao Zou et al.

Massive amounts of data are the foundation of data-driven recommendation models. As an inherent nature of big data, data heterogeneity widely exists in real-world recommendation systems. It reflects the differences in the properties among sub-populations. Ignoring the heterogeneity in recommendation data could limit the performance of recommendation models, hurt the sub-populational robustness, and make the models misled by biases. However, data heterogeneity has not attracted substantial attention in the recommendation community. Therefore, it inspires us to adequately explore and exploit heterogeneity for solving the above problems and assisting data analysis. In this work, we focus on exploring two representative categories of heterogeneity in recommendation data that is the heterogeneity of prediction mechanism and covariate distribution and propose an algorithm that explores the heterogeneity through a bilevel clustering method. Furthermore, the uncovered heterogeneity is exploited for two purposes in recommendation scenarios which are prediction with multiple sub-models and supporting debias. Extensive experiments on real-world data validate the existence of heterogeneity in recommendation data and the effectiveness of exploring and exploiting data heterogeneity in recommendation.

Xiangmeng Wang, Qian Li, Dianer Yu et al.

Traditional recommendation models trained on observational interaction data have generated large impacts in a wide range of applications, it faces bias problems that cover users' true intent and thus deteriorate the recommendation effectiveness. Existing methods tracks this problem as eliminating bias for the robust recommendation, e.g., by re-weighting training samples or learning disentangled representation. The disentangled representation methods as the state-of-the-art eliminate bias through revealing cause-effect of the bias generation. However, how to design the semantics-aware and unbiased representation for users true intents is largely unexplored. To bridge the gap, we are the first to propose an unbiased and semantics-aware disentanglement learning called CaDSI (Causal Disentanglement for Semantics-Aware Intent Learning) from a causal perspective. Particularly, CaDSI explicitly models the causal relations underlying recommendation task, and thus produces semantics-aware representations via disentangling users true intents aware of specific item context. Moreover, the causal intervention mechanism is designed to eliminate confounding bias stemmed from context information, which further to align the semantics-aware representation with users true intent. Extensive experiments and case studies both validate the robustness and interpretability of our proposed model.

Ziwei Zhang, Xin Wang, Zeyang Zhang et al.

Deep neural networks have achieved great success in the last decade. When designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, it is critical that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. Most existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. In this paper, we revisit why general neural networks cannot maintain transformation invariance. Our findings show that transformation-invariant and distance-preserving initial point representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general plug-in for geometric data. Specifically, we realize transformation invariant and distance-preserving initial point representations by modifying multi-dimensional scaling and feed the representations into existing neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our method. We also extend our method into equivariance cases. Based on the results, we advocate that TinvNN should be considered as an essential baseline for further studies of transformation-invariant geometric deep learning.

Renzhe Xu, Xingxuan Zhang, Zheyan Shen et al.

Covariate-shift generalization, a typical case in out-of-distribution (OOD) generalization, requires a good performance on the unknown test distribution, which varies from the accessible training distribution in the form of covariate shift. Recently, independence-driven importance weighting algorithms in stable learning literature have shown empirical effectiveness to deal with covariate-shift generalization on several learning models, including regression algorithms and deep neural networks, while their theoretical analyses are missing. In this paper, we theoretically prove the effectiveness of such algorithms by explaining them as feature selection processes. We first specify a set of variables, named minimal stable variable set, that is the minimal and optimal set of variables to deal with covariate-shift generalization for common loss functions, such as the mean squared loss and binary cross-entropy loss. Afterward, we prove that under ideal conditions, independence-driven importance weighting algorithms could identify the variables in this set. Analysis of asymptotic properties is also provided. These theories are further validated in several synthetic experiments.

Xingxuan Zhang, Linjun Zhou, Renzhe Xu et al.

Domain generalization (DG) aims to help models trained on a set of source domains generalize better on unseen target domains. The performances of current DG methods largely rely on sufficient labeled data, which are usually costly or unavailable, however. Since unlabeled data are far more accessible, we seek to explore how unsupervised learning can help deep models generalize across domains. Specifically, we study a novel generalization problem called unsupervised domain generalization (UDG), which aims to learn generalizable models with unlabeled data and analyze the effects of pre-training on DG. In UDG, models are pretrained with unlabeled data from various source domains before being trained on labeled source data and eventually tested on unseen target domains. Then we propose a method named Domain-Aware Representation LearnING (DARLING) to cope with the significant and misleading heterogeneity within unlabeled pretraining data and severe distribution shifts between source and target data. Surprisingly we observe that DARLING can not only counterbalance the scarcity of labeled data but also further strengthen the generalization ability of models when the labeled data are insufficient. As a pretraining approach, DARLING shows superior or comparable performance compared with ImageNet pretraining protocol even when the available data are unlabeled and of a vastly smaller amount compared to ImageNet, which may shed light on improving generalization with large-scale unlabeled data.

Ziwei Zhang, Chenhao Niu, Peng Cui et al.

Graph neural networks (GNNs) are emerging machine learning models on graphs. Permutation-equivariance and proximity-awareness are two important properties highly desirable for GNNs. Both properties are needed to tackle some challenging graph problems, such as finding communities and leaders. In this paper, we first analytically show that the existing GNNs, mostly based on the message-passing mechanism, cannot simultaneously preserve the two properties. Then, we propose Stochastic Message Passing (SMP) model, a general and simple GNN to maintain both proximity-awareness and permutation-equivariance. In order to preserve node proximities, we augment the existing GNNs with stochastic node representations. We theoretically prove that the mechanism can enable GNNs to preserve node proximities, and at the same time, maintain permutation-equivariance with certain parametrization. We report extensive experimental results on ten datasets and demonstrate the effectiveness and efficiency of SMP for various typical graph mining tasks, including graph reconstruction, node classification, and link prediction.