Fair machine learning aims to mitigate the biases of model predictions against certain subpopulations regarding sensitive attributes such as race and gender. Among the many existing fairness notions, counterfactual fairness measures the model fairness from a causal perspective by comparing the predictions of each individual from the original data and the counterfactuals. In counterfactuals, the sensitive attribute values of this individual had been modified. Recently, a few works extend counterfactual fairness to graph data, but most of them neglect the following facts that can lead to biases: 1) the sensitive attributes of each node's neighbors may causally affect the prediction w.r.t. this node; 2) the sensitive attributes may causally affect other features and the graph structure. To tackle these issues, in this paper, we propose a novel fairness notion - graph counterfactual fairness, which considers the biases led by the above facts. To learn node representations towards graph counterfactual fairness, we propose a novel framework based on counterfactual data augmentation. In this framework, we generate counterfactuals corresponding to perturbations on each node's and their neighbors' sensitive attributes. Then we enforce fairness by minimizing the discrepancy between the representations learned from the original graph and the counterfactuals for each node. Experiments on both synthetic and real-world graphs show that our framework outperforms the state-of-the-art baselines in graph counterfactual fairness, and also achieves comparable prediction performance.
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One fundamental problem in temporal graph analysis is to count the occurrences of small connected subgraph patterns (i.e., motifs), which benefits a broad range of real-world applications, such as anomaly detection, structure prediction, and network representation learning. However, existing works focused on exacting temporal motif are not scalable to large-scale temporal graph data, due to their heavy computational costs or inherent inadequacy of parallelism. In this work, we propose a scalable parallel framework for exactly counting temporal motifs in large-scale temporal graphs. We first categorize the temporal motifs based on their distinct properties, and then design customized algorithms that offer efficient strategies to exactly count the motif instances of each category. Moreover, our compact data structures, namely triple and quadruple counters, enable our algorithms to directly identify the temporal motif instances of each category, according to edge information and the relationship between edges, therefore significantly improving the counting efficiency. Based on the proposed counting algorithms, we design a hierarchical parallel framework that features both inter- and intra-node parallel strategies, and fully leverages the multi-threading capacity of modern CPU to concurrently count all temporal motifs. Extensive experiments on sixteen real-world temporal graph datasets demonstrate the superiority and capability of our proposed framework for temporal motif counting, achieving up to 538* speedup compared to the state-of-the-art methods. The source code of our method is available at: //github.com/steven-ccq/FAST-temporal-motif.
Fair representation learning transforms user data into a representation that ensures fairness and utility regardless of the downstream application. However, learning individually fair representations, i.e., guaranteeing that similar individuals are treated similarly, remains challenging in high-dimensional settings such as computer vision. In this work, we introduce LASSI, the first representation learning method for certifying individual fairness of high-dimensional data. Our key insight is to leverage recent advances in generative modeling to capture the set of similar individuals in the generative latent space. This enables us to learn individually fair representations that map similar individuals close together by using adversarial training to minimize the distance between their representations. Finally, we employ randomized smoothing to provably map similar individuals close together, in turn ensuring that local robustness verification of the downstream application results in end-to-end fairness certification. Our experimental evaluation on challenging real-world image data demonstrates that our method increases certified individual fairness by up to 90% without significantly affecting task utility.
As machine learning algorithms become increasingly integrated in crucial decision-making scenarios, such as healthcare, recruitment, and risk assessment, there have been increasing concerns about the privacy and fairness of such systems. Federated learning has been viewed as a promising solution for collaboratively training of machine learning models among multiple parties while maintaining the privacy of their local data. However, federated learning also poses new challenges in mitigating the potential bias against certain populations (e.g., demographic groups), as this typically requires centralized access to the sensitive information (e.g., race, gender) of each data point. Motivated by the importance and challenges of group fairness in federated learning, in this work, we propose FairFed, a novel algorithm to enhance group fairness via a fairness-aware aggregation method, which aims to provide fair model performance across different sensitive groups (e.g., racial, gender groups) while maintaining high utility. This formulation can further provide more flexibility in the customized local debiasing strategies for each client. We build our FairFed algorithm around the secure aggregation protocol of federated learning. When running federated training on widely investigated fairness datasets, we demonstrate that our proposed method outperforms the state-of-the-art fair federated learning frameworks under a high heterogeneous sensitive attribute distribution. We also investigate the performance of FairFed on naturally distributed real-life data collected from different geographical locations or departments within an organization.
Disentangled representation learning has been proposed as an approach to learning general representations even in the absence of, or with limited, supervision. A good general representation can be fine-tuned for new target tasks using modest amounts of data, or used directly in unseen domains achieving remarkable performance in the corresponding task. This alleviation of the data and annotation requirements offers tantalising prospects for applications in computer vision and healthcare. In this tutorial paper, we motivate the need for disentangled representations, revisit key concepts, and describe practical building blocks and criteria for learning such representations. We survey applications in medical imaging emphasising choices made in exemplar key works, and then discuss links to computer vision applications. We conclude by presenting limitations, challenges, and opportunities.
Recently, federated learning has emerged as a promising approach for training a global model using data from multiple organizations without leaking their raw data. Nevertheless, directly applying federated learning to real-world tasks faces two challenges: (1) heterogeneity in the data among different organizations; and (2) data noises inside individual organizations. In this paper, we propose a general framework to solve the above two challenges simultaneously. Specifically, we propose using distributionally robust optimization to mitigate the negative effects caused by data heterogeneity paradigm to sample clients based on a learnable distribution at each iteration. Additionally, we observe that this optimization paradigm is easily affected by data noises inside local clients, which has a significant performance degradation in terms of global model prediction accuracy. To solve this problem, we propose to incorporate mixup techniques into the local training process of federated learning. We further provide comprehensive theoretical analysis including robustness analysis, convergence analysis, and generalization ability. Furthermore, we conduct empirical studies across different drug discovery tasks, such as ADMET property prediction and drug-target affinity prediction.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Structural data well exists in Web applications, such as social networks in social media, citation networks in academic websites, and threads data in online forums. Due to the complex topology, it is difficult to process and make use of the rich information within such data. Graph Neural Networks (GNNs) have shown great advantages on learning representations for structural data. However, the non-transparency of the deep learning models makes it non-trivial to explain and interpret the predictions made by GNNs. Meanwhile, it is also a big challenge to evaluate the GNN explanations, since in many cases, the ground-truth explanations are unavailable. In this paper, we take insights of Counterfactual and Factual (CF^2) reasoning from causal inference theory, to solve both the learning and evaluation problems in explainable GNNs. For generating explanations, we propose a model-agnostic framework by formulating an optimization problem based on both of the two casual perspectives. This distinguishes CF^2 from previous explainable GNNs that only consider one of them. Another contribution of the work is the evaluation of GNN explanations. For quantitatively evaluating the generated explanations without the requirement of ground-truth, we design metrics based on Counterfactual and Factual reasoning to evaluate the necessity and sufficiency of the explanations. Experiments show that no matter ground-truth explanations are available or not, CF^2 generates better explanations than previous state-of-the-art methods on real-world datasets. Moreover, the statistic analysis justifies the correlation between the performance on ground-truth evaluation and our proposed metrics.
Graph Neural Networks (GNNs) are widely used for analyzing graph-structured data. Most GNN methods are highly sensitive to the quality of graph structures and usually require a perfect graph structure for learning informative embeddings. However, the pervasiveness of noise in graphs necessitates learning robust representations for real-world problems. To improve the robustness of GNN models, many studies have been proposed around the central concept of Graph Structure Learning (GSL), which aims to jointly learn an optimized graph structure and corresponding representations. Towards this end, in the presented survey, we broadly review recent progress of GSL methods for learning robust representations. Specifically, we first formulate a general paradigm of GSL, and then review state-of-the-art methods classified by how they model graph structures, followed by applications that incorporate the idea of GSL in other graph tasks. Finally, we point out some issues in current studies and discuss future directions.
Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine-learning-based systems. A burgeoning body of research seeks to define the goals and methods of explainability in machine learning. In this paper, we seek to review and categorize research on counterfactual explanations, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently-proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.
Providing model-generated explanations in recommender systems is important to user experience. State-of-the-art recommendation algorithms -- especially the collaborative filtering (CF) based approaches with shallow or deep models -- usually work with various unstructured information sources for recommendation, such as textual reviews, visual images, and various implicit or explicit feedbacks. Though structured knowledge bases were considered in content-based approaches, they have been largely ignored recently due to the availability of vast amount of data and the learning power of many complex models. However, structured knowledge bases exhibit unique advantages in personalized recommendation systems. When the explicit knowledge about users and items is considered for recommendation, the system could provide highly customized recommendations based on users' historical behaviors and the knowledge is helpful for providing informed explanations regarding the recommended items. In this work, we propose to reason over knowledge base embeddings for explainable recommendation. Specifically, we propose a knowledge base representation learning framework to embed heterogeneous entities for recommendation, and based on the embedded knowledge base, a soft matching algorithm is proposed to generate personalized explanations for the recommended items. Experimental results on real-world e-commerce datasets verified the superior recommendation performance and the explainability power of our approach compared with state-of-the-art baselines.
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