Graph Neural Networks (GNNs) have revolutionized graph-based machine learning, but their heavy computational demands pose challenges for latency-sensitive edge devices in practical industrial applications. In response, a new wave of methods, collectively known as GNN-to-MLP Knowledge Distillation, has emerged. They aim to transfer GNN-learned knowledge to a more efficient MLP student, which offers faster, resource-efficient inference while maintaining competitive performance compared to GNNs. However, these methods face significant challenges in situations with insufficient training data and incomplete test data, limiting their applicability in real-world applications. To address these challenges, we propose AdaGMLP, an AdaBoosting GNN-to-MLP Knowledge Distillation framework. It leverages an ensemble of diverse MLP students trained on different subsets of labeled nodes, addressing the issue of insufficient training data. Additionally, it incorporates a Node Alignment technique for robust predictions on test data with missing or incomplete features. Our experiments on seven benchmark datasets with different settings demonstrate that AdaGMLP outperforms existing G2M methods, making it suitable for a wide range of latency-sensitive real-world applications. We have submitted our code to the GitHub repository (https://github.com/WeigangLu/AdaGMLP-KDD24).
论文检索
输入标题、作者或关键词，从 12,319 篇学术成果中精准定位
Although machine learning algorithms demonstrate impressive performance, their trustworthiness remains a critical issue, particularly concerning fairness when implemented in real-world applications. Many notions of group fairness aim to minimize disparities in performance across protected groups. However, it can inadvertently reduce performance in certain groups, leading to sub-optimal outcomes. In contrast, Min-max group fairness notion prioritizes the improvement for the worst-performing group, thereby advocating a utility-promoting approach to fairness. However, it has been proven that existing efforts to achieve Min-max fairness exhibit limited effectiveness. In response to this challenge, we leverage the recently proposed "Neural Collapse'' framework to re-examine Empirical Risk Minimization (ERM) training, specifically investigating the root causes of poor performance in minority groups. The layer-peeled model is employed to decompose a network into two parts: an encoder to learn latent representation, and a subsequent classifier, with a systematic characterization of their training behaviors being conducted. Our analysis reveals that while classifiers achieve maximum separation, the separability of representations is insufficient, particularly for minority groups. This indicates the sub-optimal performance in minority groups stems from less separable representations, rather than classifiers. To tackle this issue, we introduce a novel strategy that incorporates a frozen classifier to directly enhance representation. Furthermore, we introduce two easily implemented loss functions to guide the learning process. The experimental assessments carried out on real-world benchmark datasets spanning the domains of Computer Vision, Natural Language Processing, and Tabular data demonstrate that our approach outperforms existing state-of-the-art methods in promoting the Min-max fairness notion.
The goal of semi-supervised multi-label learning (SSMLL) is to improve model performance by leveraging the information of unlabeled data. Recent studies usually adopt the pseudo-labeling strategy to tackle unlabeled data based on the assumption that labeled and unlabeled data share the same distribution. However, in realistic scenarios, unlabeled examples are often collected through cost-effective methods, inevitably introducing out-of-distribution (OOD) data, leading to a significant decline in model performance. In this paper, we propose a safe semi-supervised multi-label learning framework based on the theory of evidential deep learning (EDL), with the goal of achieving robust and effective unlabeled data exploitation. On one hand, we propose the asymmetric beta loss to not only compensate for the lack of robustness in common MLL losses, but also to solve the inherent positive-negative imbalance problem faced by the EDL losses in MLL. On the other hand, to construct a robust SSMLL framework, we adopt a dual-head structure to generate class probabilities and instance uncertainties. The former are used to generate pseudo-labels, while the latter are utilized to filter OOD examples. To avoid the need for threshold estimation, we develop a dual-measurement weighted loss function to safely perform unlabeled training. Extensive experiments on multiple benchmark datasets verify the effectiveness of the proposed method in both OOD detection and SSMLL tasks.
Vehicle routing problems (VRP) are very important in many real-world applications and has been studied for several decades. Recently, neural combinatorial optimization (NCO) has attracted growing research effort. NCO is to train a neural network model to solve an optimization problem in question. However, existing NCO methods often build a different model for each routing problem, which significantly hinders their application in some areas where there are many different VRP variants to solve. In this work, we make a first attempt to tackle the crucial challenge of cross-problem generalization in NCO. We formulate VRPs as different combinations of a set of shared underlying attributes and solve them simultaneously via a single model through attribute composition. In this way, our proposed model can successfully solve VRPs with unseen attribute combinations in a zero-shot generalization manner. In our experiments, the neural model is trained on five VRP variants and its performance is tested on eleven VRP variants. The experimental results show that the model demonstrates superior performance on these eleven VRP variants, reducing the average gap to around 5% from over 20% and achieving a notable performance boost on both benchmark datasets and real-world logistics scenarios.
Driven by the powerful representation ability of Graph Neural Networks (GNNs), plentiful GNN models have been widely deployed in many real-world applications. Nevertheless, due to distribution disparities between different demographic groups, fairness in high-stake decision-making systems is receiving increasing attention. Although lots of recent works devoted to improving the fairness of GNNs and achieved considerable success, they all require significant architectural changes or additional loss functions requiring more hyper-parameter tuning. Surprisingly, we find that simple re-balancing methods can easily match or surpass existing fair GNN methods. We claim that the imbalance across different demographic groups is a significant source of unfairness, resulting in imbalanced contributions from each group to the parameters updating. However, these simple re-balancing methods have their own shortcomings during training. In this paper, we propose FairGB, Fair Graph Neural Network via re-Balancing, which mitigates the unfairness of GNNs by group balancing. Technically, FairGB consists of two modules: counterfactual node mixup and contribution alignment loss. Firstly, we select counterfactual pairs across inter-domain and inter-class, and interpolate the ego-networks to generate new samples. Guided by analysis, we can reveal the debiasing mechanism of our model by the causal view and prove that our strategy can make sensitive attributes statistically independent from target labels. Secondly, we reweigh the contribution of each group according to gradients. By combining these two modules, they can mutually promote each other. Experimental results on benchmark datasets show that our method can achieve state-of-the-art results concerning both utility and fairness metrics. Code is available at https://github.com/ZhixunLEE/FairGB.
Inductive relation reasoning in knowledge graphs aims at predicting missing triplets involving unseen entities and/or unseen relations. While subgraph-based methods that reason about the local structure surrounding a candidate triplet have shown promise, they often fall short in accurately modeling the causal dependence between a triplet's subgraph and its ground-truth label. This limitation typically results in a susceptibility to spurious correlations caused by confounders, adversely affecting generalization capabilities. Herein, we introduce a novel front-door adjustment-based approach designed to learn the causal relationship between subgraphs and their ground-truth labels, specifically for inductive relation prediction. We conceptualize the semantic information of subgraphs as a mediator and employ a graph data augmentation mechanism to create augmented subgraphs. Furthermore, we integrate a fusion module and a decoder within the front-door adjustment framework, enabling the estimation of the mediator's combination with augmented subgraphs. We also introduce the reparameterization trick in the fusion model to enhance model robustness. Extensive experiments on widely recognized benchmark datasets demonstrate the proposed method's superiority in inductive relation prediction, particularly for tasks involving unseen entities and unseen relations. Additionally, the subgraphs reconstructed by our decoder offer valuable insights into the model's decision-making process, enhancing transparency and interpretability.
In multivariate time series (MTS) classification, finding the important features (e.g., sensors) for model performance is crucial yet challenging due to the complex, high-dimensional nature of MTS data, intricate temporal dynamics, and the necessity for domain-specific interpretations. Current explanation methods for MTS mostly focus on time-centric explanations, apt for pinpointing important time periods but less effective in identifying key features. This limitation underscores the pressing need for a feature-centric approach, a vital yet often overlooked perspective that complements time-centric analysis. To bridge this gap, our study introduces a novel feature-centric explanation and evaluation framework for MTS, named CAFO (Channel Attention and Feature Orthgonalization). CAFO employs a convolution-based approach with channel attention mechanisms, incorporating a depth-wise separable channel attention module (DepCA) and a QR decomposition-based loss for promoting feature-wise orthogonality. We demonstrate that this orthogonalization enhances the separability of attention distributions, thereby refining and stabilizing the ranking of feature importance. This improvement in feature-wise ranking enhances our understanding of feature explainability in MTS. Furthermore, we develop metrics to evaluate global and class-specific feature importance. Our framework's efficacy is validated through extensive empirical analyses on two major public benchmarks and real-world datasets, both synthetic and self-collected, specifically designed to highlight class-wise discriminative features. The results confirm CAFO's robustness and informative capacity in assessing feature importance in MTS classification tasks. This study not only advances the understanding of feature-centric explanations in MTS but also sets a foundation for future explorations in feature-centric explanations. The codes are available at https://github.com/eai-lab/CAFO.
Gandalf: Learning Label-label Correlations in Extreme Multi-label Classification via Label Features
PDF ↗Extreme Multi-label Text Classification (XMC) involves learning a classifier that can assign an input with a subset of most relevant labels from millions of label choices. Recent works in this domain have increasingly focused on a symmetric problem setting where both input instances and label features are short-text in nature. Short-text XMC with label features has found numerous applications in areas such as query-to-ad-phrase matching in search ads, title-based product recommendation, prediction of related searches. In this paper, we propose Gandalf, a novel approach which makes use of a label co-occurrence graph to leverage label features as additional data points to supplement the training distribution. By exploiting the characteristics of the short-text XMC problem, it leverages the label features to construct valid training instances, and uses the label graph for generating the corresponding soft-label targets, hence effectively capturing the label-label correlations. Surprisingly, models trained on these new training instances, although being less than half of the original dataset, can outperform models trained on the original dataset, particularly on the PSP@k metric for tail labels. With this insight, we aim to train existing XMC algorithms on both, the original and new training instances, leading to an average 5% relative improvements for 6 state-of-the-art algorithms across 4 benchmark datasets consisting of up to 1.3M labels. Gandalf can be applied in a plug-and-play manner to various methods and thus forwards the state-of-the-art in the domain, without incurring any additional computational overheads. Code has been open-sourced at www.github.com/xmc-aalto/InceptionXML.
Standard modern machine-learning-based imaging methods have faced challenges in medical applications due to the high cost of dataset construction and, thereby, the limited labeled training data available. Additionally, upon deployment, these methods are usually used to process a large volume of data on a daily basis, imposing a high maintenance cost on medical facilities. In this paper, we introduce a new neural network architecture, termed LoGoNet, with a tailored self-supervised learning (SSL) method to mitigate such challenges. LoGoNet integrates a novel feature extractor within a U-shaped architecture, leveraging Large Kernel Attention (LKA) and a dual encoding strategy to capture both long-range and short-range feature dependencies adeptly. This is in contrast to existing methods that rely on increasing network capacity to enhance feature extraction. This combination of novel techniques in our model is especially beneficial in medical image segmentation, given the difficulty of learning intricate and often irregular body organ shapes, such as the spleen. Complementary, we propose a novel SSL method tailored for 3D images to compensate for the lack of large labeled datasets. Our method combines masking and contrastive learning techniques within a multi-task learning framework and is compatible with both Vision Transformer (ViT) and CNN-based models. We demonstrate the efficacy of our methods in numerous tasks across two standard datasets (i.e., BTCV and MSD). Benchmark comparisons with eight state-of-the-art models highlight LoGoNet's superior performance in both inference time and accuracy. Code available at: https://github.com/aminK8/Masked-LoGoNet.
Gradient Boosting is a leading learning method that builds ensembles and adapts their sizes to particular tasks, consistently delivering top-tier results across various applications. However, determining the optimal number of models in the ensemble remains a critical yet underexplored aspect. Traditional approaches assume a universal ensemble size effective for all data points, which may not always hold true due to data heterogeneity. This paper introduces an adaptive approach to early stopping in Gradient Boosting, addressing data heterogeneity by assigning different stop moments to different data regions at inference time while still training a common ensemble on the entire dataset. We propose two methods: Direct Supervised Partition (DSP) and Indirect Supervised Partition (ISP). The DSP method uses a decision tree to partition the data based on learning curves, while ISP leverages the dataset's geometric and target distribution characteristics. An effective validation protocol is developed to determine the optimal number of early stopping regions or detect when the heterogeneity assumption does not hold. Experiments using state-of-the-art implementations of Gradient Boosting, LightGBM, and CatBoost, on standard benchmarks demonstrate that our methods enhance model precision by up to 2%, underscoring the significance of this research direction. This approach does not increase computational complexity and can be easily integrated into existing learning pipelines.
Evaluating anomaly detection algorithms in time series data is critical as inaccuracies can lead to flawed decision-making in various domains where real-time analytics and data-driven strategies are essential. Traditional performance metrics assume iid data and fail to capture the complex temporal dynamics and specific characteristics of time series anomalies, such as early and delayed detections. We introduce Proximity-Aware Time series anomaly Evaluation (PATE), a novel evaluation metric that incorporates the temporal relationship between prediction and anomaly intervals. PATE uses proximity-based weighting considering buffer zones around anomaly intervals, enabling a more detailed and informed assessment of a detection. Using these weights, PATE computes a weighted version of the area under the Precision and Recall curve. Our experiments with synthetic and real-world datasets show the superiority of PATE in providing more sensible and accurate evaluations than other evaluation metrics. We also tested several state-of-the-art anomaly detectors across various benchmark datasets using the PATE evaluation scheme. The results show that a common metric like Point-Adjusted F1 Score fails to characterize the detection performances well, and that PATE is able to provide a more fair model comparison. By introducing PATE, we redefine the understanding of model efficacy that steers future studies toward developing more effective and accurate detection models.
GAugLLM: Improving Graph Contrastive Learning for Text-Attributed Graphs with Large Language Models
PDF ↗This work studies self-supervised graph learning for text-attributed graphs (TAGs) where nodes are represented by textual attributes. Unlike traditional graph contrastive methods that perturb the numerical feature space and alter the graph's topological structure, we aim to improve view generation through language supervision. This is driven by the prevalence of textual attributes in real applications, which complement graph structures with rich semantic information. However, this presents challenges because of two major reasons. First, text attributes often vary in length and quality, making it difficulty to perturb raw text descriptions without altering their original semantic meanings. Second, although text attributes complement graph structures, they are not inherently well-aligned. To bridge the gap, we introduce GAugLLM, a novel framework for augmenting TAGs. It leverages advanced large language models like Mistral to enhance self-supervised graph learning. Specifically, we introduce a mixture-of-prompt-expert technique to generate augmented node features. This approach adaptively maps multiple prompt experts, each of which modifies raw text attributes using prompt engineering, into numerical feature space. Additionally, we devise a collaborative edge modifier to leverage structural and textual commonalities, enhancing edge augmentation by examining or building connections between nodes. Empirical results across five benchmark datasets spanning various domains underscore our framework's ability to enhance the performance of leading contrastive methods (e.g., BGRL, GraphCL, and GBT) as a plug-in tool. Notably, we observe that the augmented features and graph structure can also enhance the performance of standard generative methods (e.g., GraphMAE and S2GAE), as well as popular graph neural networks (e.g., GCN and GAT). The open-sourced implementation of our GAugLLM is available at https://github.com/NYUSHCS/GAugLLM.
As an emerging interpretable technique, Generalized Additive Models (GAMs) adopt neural networks to individually learn non-linear functions for each feature, which are then combined through a linear model for final predictions. Although GAMs can explain deep neural networks (DNNs) at the feature level, they require large numbers of model parameters and are prone to overfitting, making them hard to train and scale. Additionally, in real-world datasets with many features, the interpretability of feature-based explanations diminishes for humans. To tackle these issues, recent research has shifted towards concept-based interpretable methods. These approaches try to integrate concept learning as an intermediate step before making predictions, explaining the predictions in terms of human-understandable concepts. However, these methods require domain experts to extensively label concepts with relevant names and their ground-truth values. In response, we propose CAT, a novel interpretable Concept-bAsed Taylor additive model to simplify this process. CAT does not require domain experts to annotate concepts and their ground-truth values. Instead, it only requires users to simply categorize input features into broad groups, which can be easily accomplished through a quick metadata review. Specifically, CAT first embeds each group of input features into one-dimensional high-level concept representation, and then feeds the concept representations into a new white-box Taylor Neural Network (TaylorNet). The TaylorNet aims to learn the non-linear relationship between the inputs and outputs using polynomials. Evaluation results across multiple benchmarks demonstrate that CAT can outperform or compete with the baselines while reducing the need of extensive model parameters. Importantly, it can effectively explain model predictions through high-level concepts. Source code is available at github.com/vduong143/CAT-KDD-2024.
Divide and Denoise: Empowering Simple Models for Robust Semi-Supervised Node Classification against Label Noise
PDF ↗Graph neural networks (GNNs) based on message passing have achieved remarkable performance in graph machine learning. By combining it with the power of pseudo labeling, one can further push forward the performance on the task of semi-supervised node classification. However, most existing works assume that the training node labels are purely noise-free, while this strong assumption usually does not hold in practice. GNNs will overfit the noisy training labels and the adverse effects of mislabeled nodes can be exaggerated by being propagated to the remaining nodes through the graph structure, exacerbating the model failure. Worse still, the noisy pseudo labels could also largely undermine the model's reliability without special treatment. In this paper, we revisit the role of (1) message passing and (2) pseudo labels in the studied problem and try to address two denoising subproblems from the model architecture and algorithm perspective, respectively. Specifically, we first develop a label-noise robust GNN that discards the coupled message-passing scheme. Despite its simple architecture, this learning backbone prevents overfitting to noisy labels and also inherently avoids the noise propagation issue. Moreover, we propose a novel reliable graph pseudo labeling algorithm that can effectively leverage the knowledge of unlabeled nodes while mitigating the adverse effects of noisy pseudo labels. Based on those novel designs, we can attain exceptional effectiveness and efficiency in solving the studied problem. We conduct extensive experiments on benchmark datasets for semi-supervised node classification with different levels of label noise and show new state-of-the-art performance. The code is available at https://github.com/DND-NET/DND-NET.
We propose an efficient boosting algorithm for multiclass classification, called AdaBoost.Iter, that extends SAMME and AdaBoost. The algorithm iteratively applies the weak learnability condition of SAMME to eliminate classes to find the correct classificiation. The iterative weak learnability is a sufficient and necessary condition for boostability, but it is also easier to validate than the EOR criterion of AdaBoost.MM \citeMukherjeeSchapire2013. We show that the training error of AdaBoost.Iter vanishes at the exponential rate, while the generalization error converges to zero at the same rate as AdaBoost. AdaBoost.Iter numerically outperforms SAMME and achieves performance comparable to AdaBoost.MM on benchmark datasets.
Label noise is a common challenge in large datasets, as it can significantly degrade the generalization ability of deep neural networks. Most existing studies focus on noisy labels in computer vision; however, graph models encompass both node features and graph topology as input, and become more susceptible to label noise through message-passing mechanisms. Recently, only a few works have been proposed to tackle the label noise on graphs. One significant limitation is that they operate under the assumption that the graph exhibits homophily and that the labels are distributed smoothly. However, real-world graphs can exhibit varying degrees of heterophily, or even be dominated by heterophily, which results in the inadequacy of the current methods. In this paper, we study graph label noise in the context of arbitrary heterophily, with the aim of rectifying noisy labels and assigning labels to previously unlabeled nodes. We begin by conducting two empirical analyses to explore the impact of graph homophily on graph label noise. Following observations, we propose a efficient algorithm, denoted as R2LP. Specifically, R2LP is an iterative algorithm with three steps: (1) reconstruct the graph to recover the homophily property, (2) utilize label propagation to rectify the noisy labels, (3) select high-confidence labels to retain for the next iteration. By iterating these steps, we obtain a set of ''correct'' labels, ultimately achieving high accuracy in the node classification task. The theoretical analysis is also provided to demonstrate its remarkable denoising effect. Finally, we perform experiments on ten benchmark datasets with different levels of graph heterophily and various types of noise. In these experiments, we compare the performance of R2LP against ten typical baseline methods. Our results illustrate the superior performance of the proposed øurs. The code and data of this paper can be accessed at: https://github.com/cy623/R2LP.git.
To counter the side effect brought by the proliferation of social media platforms, hate speech detection (HSD) plays a vital role in halting the dissemination of toxic online posts at an early stage. However, given the ubiquitous topical communities on social media, a trained HSD classifier can easily become biased towards specific targeted groups (e.g.,female andblack people), where a high rate of either false positive or false negative results can significantly impair public trust in the fairness of content moderation mechanisms, and eventually harm the diversity of online society. Although existing fairness-aware HSD methods can smooth out some discrepancies across targeted groups, they are mostly specific to a narrow selection of targets that are assumed to be known and fixed. This inevitably prevents those methods from generalizing to real-world use cases where new targeted groups constantly emerge (e.g., new forums created on Reddit) over time. To tackle the defects of existing HSD practices, we propose Generalizable target-aware Fairness (GetFair), a new method for fairly classifying each post that contains diverse and even unseen targets during inference. To remove the HSD classifier's spurious dependence on target-related features, GetFair trains a series of filter functions in an adversarial pipeline, so as to deceive the discriminator that recovers the targeted group from filtered post embeddings. To maintain scalability and generalizability, we innovatively parameterize all filter functions via a hypernetwork. Taking a target's pretrained word embedding as input, the hypernetwork generates the weights used by each target-specific filter on-the-fly without storing dedicated filter parameters. In addition, a novel semantic gap alignment scheme is imposed on the generation process, such that the produced filter function for an unseen target is rectified by its semantic affinity with existing targets used for training. Finally, experiments are conducted on two benchmark HSD datasets, showing advantageous performance of GetFair on out-of-sample targets among baselines.
FoRAG: Factuality-optimized Retrieval Augmented Generation for Web-enhanced Long-form Question Answering
PDF ↗Retrieval Augmented Generation (RAG) has become prevalent in question-answering (QA) tasks due to its ability of utilizing search engine to enhance the quality of long-form question-answering (LFQA). Despite the emergence of various open source methods and web-enhanced commercial systems such as Bing Chat, two critical problems remain unsolved, i.e., the lack of factuality and clear logic in the generated long-form answers. In this paper, we remedy these issues via a systematic study on answer generation in web-enhanced LFQA. Specifically, we first propose a novel outline-enhanced generator to achieve clear logic in the generation of multifaceted answers and construct two datasets accordingly. Then we propose a factuality optimization method based on a carefully designed doubly fine-grained RLHF framework, which contains automatic evaluation and reward modeling in different levels of granularity. Our generic framework comprises conventional fine-grained RLHF methods as special cases. Extensive experiments verify the superiority of our proposed Factuality-optimized RAG (FoRAG) method on both English and Chinese benchmarks. In particular, when applying our method to Llama2-7B-chat, the derived model FoRAG-L-7B outperforms WebGPT-175B in terms of three commonly used metrics (i.e., coherence, helpfulness, and factuality), while the number of parameters is much smaller (only 1/24 of that of WebGPT-175B). Our datasets and models are made publicly available for better reproducibility.https://huggingface.co/forag łabelfootnote_dataset_url
Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods, however, are known to suffer from two major limitations: over-squashing and poor capturing of long-range dependencies. Recently, Graph Transformers (GTs) emerged as a powerful alternative to Message-Passing Neural Networks (MPNNs). GTs, however, have quadratic computational cost, lack inductive biases on graph structures, and rely on complex Positional Encodings (PE). In this paper, we show that while Transformers, complex message-passing, and PE are sufficient for good performance in practice, neither is necessary. Motivated by the recent success of State Space Models (SSMs), we present Graph Mamba Networks (GMNs), a framework for a new class of GNNs based on selective SSMs. We discuss the new challenges when adapting SSMs to graph-structured data, and present four required steps to design GMNs, where we choose (1) Neighborhood Tokenization, (2) Token Ordering, (3) Architecture of SSM Encoder, and (4) Local Encoding. We provide theoretical justification for the power of GMNs, and experimentally show that GMNs attain an outstanding performance in various benchmark datasets. The code is available in this link.
In this work, we study active covering, a variant of the active-learning problem that involves labeling (or identifying) all of the examples with a positive label. We propose a couple of algorithms, namely Density-Adjusted Non-Adaptive (DANA) learner and Density-Adjusted Adaptive (DAA) learner, that query the labels according to a distance function that is adjusted by the density function. Under mild assumptions, we prove that our algorithms discover all of the positive labels while querying only a sublinear number of examples from the support of negative labels for constant-dimensional spaces (see Theorems 5 and 6). Our experiments show that our champion algorithm DAA consistently improves over the prior work on some standard benchmark datasets, including those used by the previous work, as well as a couple of data sets on credit card fraud. For instance, when measuring performance using AUC, our algorithm is the best in 25 out of 27 experiments over 7 different datasets.