Federated learning (FL) addresses data privacy concerns by enabling collaborative training of AI models across distributed data owners. Wide adoption of FL faces the fundamental challenges of data heterogeneity and the large scale of data owners involved. In this paper, we investigate the prospect of Transformer-based FL models for achieving generalization and personalization in this setting. We conduct extensive comparative experiments involving FL with Transformers, ResNet, and personalized ResNet-based FL approaches under various scenarios. These experiments consider varying numbers of data owners to demonstrate Transformers' advantages over deep neural networks in large-scale heterogeneous FL tasks. In addition, we analyze the superior performance of Transformers by comparing the Centered Kernel Alignment (CKA) representation similarity across different layers and FL models to gain insight into the reasons behind their promising capabilities.
Pairwise comparison of graphs is key to many applications in Machine learning ranging from clustering, kernel-based classification/regression and more recently supervised graph prediction. Distances between graphs usually rely on informative representations of these structured objects such as bag of substructures or other graph embeddings. A recently popular solution consists in representing graphs as metric measure spaces, allowing to successfully leverage Optimal Transport, which provides meaningful distances allowing to compare them: the Gromov-Wasserstein distances. However, this family of distances overlooks edge attributes, which are essential for many structured objects. In this work, we introduce an extension of Gromov-Wasserstein distance for comparing graphs whose both nodes and edges have features. We propose novel algorithms for distance and barycenter computation. We empirically show the effectiveness of the novel distance in learning tasks where graphs occur in either input space or output space, such as classification and graph prediction.
Recent advances in federated learning (FL) enable collaborative training of machine learning (ML) models from large-scale and widely dispersed clients while protecting their privacy. However, when different clients' datasets are heterogeneous, traditional FL mechanisms produce a global model that does not adequately represent the poorer clients with limited data resources, resulting in lower accuracy and higher bias on their local data. According to the Matthew effect, which describes how the advantaged gain more advantage and the disadvantaged lose more over time, deploying such a global model in client applications may worsen the resource disparity among the clients and harm the principles of social welfare and fairness. To mitigate the Matthew effect, we propose Egalitarian Fairness Federated Learning (EFFL), where egalitarian fairness refers to the global model learned from FL has: (1) equal accuracy among clients; (2) equal decision bias among clients. Besides achieving egalitarian fairness among the clients, EFFL also aims for performance optimality, minimizing the empirical risk loss and the bias for each client; both are essential for any ML model training, whether centralized or decentralized. We formulate EFFL as a constrained multi-constrained multi-objectives optimization (MCMOO) problem, with the decision bias and egalitarian fairness as constraints and the minimization of the empirical risk losses on all clients as multiple objectives to be optimized. We propose a gradient-based three-stage algorithm to obtain the Pareto optimal solutions within the constraint space. Extensive experiments demonstrate that EFFL outperforms other state-of-the-art FL algorithms in achieving a high-performance global model with enhanced egalitarian fairness among all clients.
Despite their success, Machine Learning (ML) models do not generalize effectively to data not originating from the training distribution. To reliably employ ML models in real-world healthcare systems and avoid inaccurate predictions on out-of-distribution (OOD) data, it is crucial to detect OOD samples. Numerous OOD detection approaches have been suggested in other fields - especially in computer vision - but it remains unclear whether the challenge is resolved when dealing with medical tabular data. To answer this pressing need, we propose an extensive reproducible benchmark to compare different methods across a suite of tests including both near and far OODs. Our benchmark leverages the latest versions of eICU and MIMIC-IV, two public datasets encompassing tens of thousands of ICU patients in several hospitals. We consider a wide array of density-based methods and SOTA post-hoc detectors across diverse predictive architectures, including MLP, ResNet, and Transformer. Our findings show that i) the problem appears to be solved for far-OODs, but remains open for near-OODs; ii) post-hoc methods alone perform poorly, but improve substantially when coupled with distance-based mechanisms; iii) the transformer architecture is far less overconfident compared to MLP and ResNet.
Semi-supervised learning (SSL) is a promising approach for training deep classification models using labeled and unlabeled datasets. However, existing SSL methods rely on a large unlabeled dataset, which may not always be available in many real-world applications due to legal constraints (e.g., GDPR). In this paper, we investigate the research question: Can we train SSL models without real unlabeled datasets? Instead of using real unlabeled datasets, we propose an SSL method using synthetic datasets generated from generative foundation models trained on datasets containing millions of samples in diverse domains (e.g., ImageNet). Our main concepts are identifying synthetic samples that emulate unlabeled samples from generative foundation models and training classifiers using these synthetic samples. To achieve this, our method is formulated as an alternating optimization problem: (i) meta-learning of generative foundation models and (ii) SSL of classifiers using real labeled and synthetic unlabeled samples. For (i), we propose a meta-learning objective that optimizes latent variables to generate samples that resemble real labeled samples and minimize the validation loss. For (ii), we propose a simple unsupervised loss function that regularizes the feature extractors of classifiers to maximize the performance improvement obtained from synthetic samples. We confirm that our method outperforms baselines using generative foundation models on SSL. We also demonstrate that our methods outperform SSL using real unlabeled datasets in scenarios with extremely small amounts of labeled datasets. This suggests that synthetic samples have the potential to provide improvement gains more efficiently than real unlabeled data.
Variance in predictions across different trained models is a significant, under-explored source of error in fair classification. In practice, the variance on some data examples is so large that decisions can be effectively arbitrary. To investigate this problem, we take an experimental approach and make four overarching contributions: We 1) Define a metric called self-consistency, derived from variance, which we use as a proxy for measuring and reducing arbitrariness; 2) Develop an ensembling algorithm that abstains from classification when a prediction would be arbitrary; 3) Conduct the largest to-date empirical study of the role of variance (vis-a-vis self-consistency and arbitrariness) in fair classification; and, 4) Release a toolkit that makes the US Home Mortgage Disclosure Act (HMDA) datasets easily usable for future research. Altogether, our experiments reveal shocking insights about the reliability of conclusions on benchmark datasets. Most fairness classification benchmarks are close-to-fair when taking into account the amount of arbitrariness present in predictions -- before we even try to apply common fairness interventions. This finding calls into question the practical utility of common algorithmic fairness methods, and in turn suggests that we should fundamentally reconsider how we choose to measure fairness in machine learning.
Bayesian personalized federated learning (BPFL) addresses challenges in existing personalized FL (PFL). BPFL aims to quantify the uncertainty and heterogeneity within and across clients towards uncertainty representations by addressing the statistical heterogeneity of client data. In PFL, some recent preliminary work proposes to decompose hidden neural representations into shared and local components and demonstrates interesting results. However, most of them do not address client uncertainty and heterogeneity in FL systems, while appropriately decoupling neural representations is challenging and often ad hoc. In this paper, we make the first attempt to introduce a general BPFL framework to decompose and jointly learn shared and personalized uncertainty representations on statistically heterogeneous client data over time. A Bayesian federated neural network BPFed instantiates BPFL by jointly learning cross-client shared uncertainty and client-specific personalized uncertainty over statistically heterogeneous and randomly participating clients. We further involve continual updating of prior distribution in BPFed to speed up the convergence and avoid catastrophic forgetting. Theoretical analysis and guarantees are provided in addition to the experimental evaluation of BPFed against the diversified baselines.
Machine learning (ML) methods offer a wide range of configurable hyperparameters that have a significant influence on their performance. While accuracy is a commonly used performance objective, in many settings, it is not sufficient. Optimizing the ML models with respect to multiple objectives such as accuracy, confidence, fairness, calibration, privacy, latency, and memory consumption is becoming crucial. To that end, hyperparameter optimization, the approach to systematically optimize the hyperparameters, which is already challenging for a single objective, is even more challenging for multiple objectives. In addition, the differences in objective scales, the failures, and the presence of outlier values in objectives make the problem even harder. We propose a multi-objective Bayesian optimization (MoBO) algorithm that addresses these problems through uniform objective normalization and randomized weights in scalarization. We increase the efficiency of our approach by imposing constraints on the objective to avoid exploring unnecessary configurations (e.g., insufficient accuracy). Finally, we leverage an approach to parallelize the MoBO which results in a 5x speed-up when using 16x more workers.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.
In this paper, we propose the joint learning attention and recurrent neural network (RNN) models for multi-label classification. While approaches based on the use of either model exist (e.g., for the task of image captioning), training such existing network architectures typically require pre-defined label sequences. For multi-label classification, it would be desirable to have a robust inference process, so that the prediction error would not propagate and thus affect the performance. Our proposed model uniquely integrates attention and Long Short Term Memory (LSTM) models, which not only addresses the above problem but also allows one to identify visual objects of interests with varying sizes without the prior knowledge of particular label ordering. More importantly, label co-occurrence information can be jointly exploited by our LSTM model. Finally, by advancing the technique of beam search, prediction of multiple labels can be efficiently achieved by our proposed network model.