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Register a new userEDITS: Modeling and Mitigating Data Bias for Graph Neural Networks
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Yushun Dong
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Graph Neural Networks (GNNs) have recently demonstrated superior capability of tackling graph analytical problems in various applications. Nevertheless, with the wide-spreading practice of GNNs in high-stake decision-making processes, there is an increasing societal concern that GNNs could make discriminatory decisions that may be illegal towards certain demographic groups. Although some explorations have been made towards developing fair GNNs, existing approaches are tailored for a specific GNN model. However, in practical scenarios, myriads of GNN variants have been proposed for different tasks, and it is costly to train and fine-tune existing debiasing models for different GNNs. Also, bias in a trained model could originate from training data, while how to mitigate bias in the graph data is usually overlooked. In this work, different from existing work, we first propose novel definitions and metrics to measure the bias in an attributed network, which leads to the optimization objective to mitigate bias. Based on the optimization objective, we develop a framework named EDITS to mitigate the bias in attributed networks while preserving useful information. EDITS works in a model-agnostic manner, which means that it is independent of the specific GNNs applied for downstream tasks. Extensive experiments on both synthetic and real-world datasets demonstrate the validity of the proposed bias metrics and the superiority of EDITS on both bias mitigation and utility maintenance. Open-source implementation: https://github.com/yushundong/EDITS.
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Collider bias is a harmful form of sample selection bias that neural networks are ill-equipped to handle. This bias manifests itself when the underlying causal signal is strongly correlated with other confounding signals due to the training data collection procedure. In the situation where the confounding signal is easy-to-learn, deep neural networks will latch onto this and the resulting model will generalise poorly to in-the-wild test scenarios. We argue herein that the cause of failure is a combination of the deep structure of neural networks and the greedy gradient-driven learning process used - one that prefers easy-to-compute signals when available. We show it is possible to mitigate against this by generating bias-decoupled training data using latent adversarial debiasing (LAD), even when the confounding signal is present in 100% of the training data. By training neural networks on these adversarial examples,we can improve their generalisation in collider bias settings. Experiments show state-of-the-art performance of LAD in label-free debiasing with gains of 76.12% on background coloured MNIST, 35.47% on fore-ground coloured MNIST, and 8.27% on corrupted CIFAR-10.
Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.
In recent years the ubiquitous deployment of AI has posed great concerns in regards to algorithmic bias, discrimination, and fairness. Compared to traditional forms of bias or discrimination caused by humans, algorithmic bias generated by AI is more abstract and unintuitive therefore more difficult to explain and mitigate. A clear gap exists in the current literature on evaluating and mitigating bias in pruned neural networks. In this work, we strive to tackle the challenging issues of evaluating, mitigating, and explaining induced bias in pruned neural networks. Our paper makes three contributions. First, we propose two simple yet effective metrics, Combined Error Variance (CEV) and Symmetric Distance Error (SDE), to quantitatively evaluate the induced bias prevention quality of pruned models. Second, we demonstrate that knowledge distillation can mitigate induced bias in pruned neural networks, even with unbalanced datasets. Third, we reveal that model similarity has strong correlations with pruning induced bias, which provides a powerful method to explain why bias occurs in pruned neural networks. Our code is available at https://github.com/codestar12/pruning-distilation-bias
The central challenge in automated synthesis planning is to be able to generate and predict outcomes of a diverse set of chemical reactions. In particular, in many cases, the most likely synthesis pathway cannot be applied due to additional constraints, which requires proposing alternative chemical reactions. With this in mind, we present Molecule Edit Graph Attention Network (MEGAN), an end-to-end encoder-decoder neural model. MEGAN is inspired by models that express a chemical reaction as a sequence of graph edits, akin to the arrow pushing formalism. We extend this model to retrosynthesis prediction (predicting substrates given the product of a chemical reaction) and scale it up to large datasets. We argue that representing the reaction as a sequence of edits enables MEGAN to efficiently explore the space of plausible chemical reactions, maintaining the flexibility of modeling the reaction in an end-to-end fashion, and achieving state-of-the-art accuracy in standard benchmarks. Code and trained models are made available online at https://github.com/molecule-one/megan.
Data that is gathered adaptively --- via bandit algorithms, for example --- exhibits bias. This is true both when gathering simple numeric valued data --- the empirical means kept track of by stochastic bandit algorithms are biased downwards --- and when gathering more complicated data --- running hypothesis tests on complex data gathered via contextual bandit algorithms leads to false discovery. In this paper, we show that this problem is mitigated if the data collection procedure is differentially private. This lets us both bound the bias of simple numeric valued quantities (like the empirical means of stochastic bandit algorithms), and correct the p-values of hypothesis tests run on the adaptively gathered data. Moreover, there exist differentially private bandit algorithms with near optimal regret bounds: we apply existing theorems in the simple stochastic case, and give a new analysis for linear contextual bandits. We complement our theoretical results with experiments validating our theory.
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