Semi-Supervised Learning (SSL) and Unsupervised Domain Adaptation (UDA) enhance the model performance by exploiting information from labeled and unlabeled data. The clustering assumption has proven advantageous for learning with limited supervision and states that data points belonging to the same cluster in a high-dimensional space should be assigned to the same category. Recent works have utilized different training mechanisms to implicitly enforce this assumption for the SSL and UDA. In this work, we take a different approach by explicitly involving a differentiable clustering module which is extended to leverage the supervised data to compute its centroids. We demonstrate the effectiveness of our straightforward end-to-end training strategy for SSL and UDA over extensive experiments and highlight its benefits, especially in low supervision regimes, both as a standalone model and as a regularizer for existing approaches.

Prototypical self-explainable classifiers have emerged to meet the growing demand for interpretable AI systems. These classifiers are designed to incorporate high transparency in their decisions by basing inference on similarity with learned prototypical objects. While these models are designed with diversity in mind, the learned prototypes often do not sufficiently represent all aspects of the input distribution, particularly those in low density regions. Such lack of sufficient data representation, known as representation bias, has been associated with various detrimental properties related to machine learning diversity and fairness. In light of this, we introduce pantypes, a new family of prototypical objects designed to capture the full diversity of the input distribution through a sparse set of objects. We show that pantypes can empower prototypical self-explainable models by occupying divergent regions of the latent space and thus fostering high diversity, interpretability and fairness.

The development of semi-supervised learning (SSL) has in recent years largely focused on the development of new consistency regularization or entropy minimization approaches, often resulting in models with complex training strategies to obtain the desired results. In this work, we instead propose a novel approach that explicitly incorporates the underlying clustering assumption in SSL through extending a recently proposed differentiable clustering module. Leveraging annotated data to guide the cluster centroids results in a simple end-to-end trainable deep SSL approach. We demonstrate that the proposed model improves the performance over the supervised-only baseline and show that our framework can be used in conjunction with other SSL methods to further boost their performance.

Abstract Despite the significant improvements that self-supervised representation learning has led to when learning from unlabeled data, no methods have been developed that explain what influences the learned representation. We address this need through our proposed approach, RELAX, which is the first approach for attribution-based explanations of representations. Our approach can also model the uncertainty in its explanations, which is essential to produce trustworthy explanations. RELAX explains representations by measuring similarities in the representation space between an input and masked out versions of itself, providing intuitive explanations that significantly outperform the gradient-based baselines. We provide theoretical interpretations of RELAX and conduct a novel analysis of feature extractors trained using supervised and unsupervised learning, providing insights into different learning strategies. Moreover, we conduct a user study to assess how well the proposed approach aligns with human intuition and show that the proposed method outperforms the baselines in both the quantitative and human evaluation studies. Finally, we illustrate the usability of RELAX in several use cases and highlight that incorporating uncertainty can be essential for providing faithful explanations, taking a crucial step towards explaining representations.

Multivariate time series often contain missing values for reasons such as failures in data collection mechanisms. Since these missing values can complicate the analysis of time series data, imputation techniques are typically used to deal with this issue. However, the quality of the imputation directly affects the performance of downstream tasks. In this paper, we propose a selective imputation method that identifies a subset of timesteps with missing values to impute in a multivariate time series dataset. This selection, which will result in shorter and simpler time series, is based on both reducing the uncertainty of the imputations and representing the original time series as good as possible. In particular, the method uses multi-objective optimization techniques to select the optimal set of points, and in this selection process, we leverage the beneficial properties of the Multi-task Gaussian Process (MGP). The method is applied to different datasets to analyze the quality of the imputations and the performance obtained in downstream tasks, such as classification or anomaly detection. The results show that much shorter and simpler time series are able to maintain or even improve both the quality of the imputations and the performance of the downstream tasks.

The need for interpretable models has fostered the development of self-explainable classifiers. Prior approaches are either based on multi-stage optimization schemes, impacting the predictive performance of the model, or produce explanations that are not transparent, trustworthy or do not capture the diversity of the data. To address these shortcomings, we propose ProtoVAE, a variational autoencoder-based framework that learns class-specific prototypes in an end-to-end manner and enforces trustworthiness and diversity by regularizing the representation space and introducing an orthonormality constraint. Finally, the model is designed to be transparent by directly incorporating the prototypes into the decision process. Extensive comparisons with previous self-explainable approaches demonstrate the superiority of ProtoVAE, highlighting its ability to generate trustworthy and diverse explanations, while not degrading predictive performance.

Surgical site infections are hospital-acquired infections resulting in severe risk for patients and significantly increased costs for healthcare providers. In this work, we show how to leverage irregularly sampled preoperative blood tests to predict, on the day of surgery, a future surgical site infection and its severity. Our dataset is extracted from the electronic health records of patients who underwent gastrointestinal surgery and developed either deep, shallow or no infection. We represent the patients using the concentrations of fourteen common blood components collected over the four weeks preceding the surgery partitioned into six time windows. A gradient boosting based classifier trained on our new set of features reports an AUROC of 0.991 for predicting a postoperative infection and and AUROC of 0.937 for classifying the severity of the infection. Further analyses support the clinical relevance of our approach as the most important features describe the nutritional status and the liver function over the two weeks prior to surgery.

Abstract Deep embedded clustering has become a dominating approach to unsupervised categorization of objects with deep neural networks. The optimization of the most popular methods alternates between the training of a deep autoencoder and a k -means clustering of the autoencoder’s embedding. The diachronic setting, however, prevents the former to benefit from valuable information acquired by the latter. In this paper, we present an alternative where the autoencoder and the clustering are learned simultaneously. This is achieved by providing novel theoretical insight, where we show that the objective function of a certain class of Gaussian mixture models (GMM’s) can naturally be rephrased as the loss function of a one-hidden layer autoencoder thus inheriting the built-in clustering capabilities of the GMM. That simple neural network, referred to as the clustering module, can be integrated into a deep autoencoder resulting in a deep clustering model able to jointly learn a clustering and an embedding. Experiments confirm the equivalence between the clustering module and Gaussian mixture models. Further evaluations affirm the empirical relevance of our deep architecture as it outperforms related baselines on several data sets.

Archetypal Analysis is the method of choice to compute interpretable matrix factorizations. Every data point is represented as a convex combination of factors, i.e., points on the boundary of the convex hull of the data. This renders computation inefficient. In this paper, we show that the set of vertices of a convex hull, the so-called frame, can be efficiently computed by a quadratic program. We provide theoretical and empirical results for our proposed approach and make use of the frame to accelerate Archetypal Analysis. The novel method yields similar reconstruction errors as baseline competitors but is much faster to compute.

Among other criteria, a pattern may be interesting if it is not redundant with other discovered patterns. A general approach to determining redundancy is to consider a probabilistic model for frequencies of patterns, based on those of patterns already mined, and compare observed frequencies to the model. Such probabilistic models include the independence model, partition models or more complex models which are approached via randomization for a lack of an adequate tool in probability theory allowing a direct approach. We define constrained independence, a generalization to the notion of independence. This tool allows us to describe probabilistic models for evaluating redundancy in frequent itemset mining. We provide algorithms, integrated within the mining process, for determining non-redundant itemsets. Through experimentations, we show that the models used reveal high rates of redundancy among frequent itemsets and we extract the most interesting ones.