REPEAT: Improving Uncertainty Estimation in Representation Learning Explainability

Incorporating uncertainty is crucial to provide trustworthy explanations of deep learning models. Recent works have demonstrated how uncertainty modeling can be particularly important in the unsupervised field of representation learning explainable artificial intelligence (R-XAI). Current R-XAI methods provide uncertainty by measuring variability in the importance score. However, they fail to provide meaningful estimates of whether a pixel is certainly important or not. In this work, we propose a new R-XAI method called REPEAT that addresses the key question of whether or not a pixel is \textit{certainly} important. REPEAT leverages the stochasticity of current R-XAI methods to produce multiple estimates of importance, thus considering each pixel in an image as a Bernoulli random variable that is either important or unimportant. From these Bernoulli random variables we can directly estimate the importance of a pixel and its associated certainty, thus enabling users to determine certainty in pixel importance. Our extensive evaluation shows that REPEAT gives certainty estimates that are more intuitive, better at detecting out-of-distribution data, and more concise.

Explaining time series models using frequency masking

Time series data is fundamentally important for describing many critical domains such as healthcare, finance, and climate, where explainable models are necessary for safe automated decision-making. To develop eXplainable AI (XAI) in these domains therefore implies explaining salient information in the time series. Current methods for obtaining saliency maps assumes localized information in the raw input space. In this paper, we argue that the salient information of a number of time series is more likely to be localized in the frequency domain. We propose FreqRISE, which uses masking based methods to produce explanations in the frequency and time-frequency domain, which shows the best performance across a number of tasks.

Generalized Cauchy-Schwarz Divergence and Its Deep Learning Applications

Divergence measures play a central role in machine learning and become increasingly essential in deep learning. However, valid and computationally efficient divergence measures for multiple (more than two) distributions are scarcely investigated. This becomes particularly crucial in areas where the simultaneous management of multiple distributions is both unavoidable and essential. Examples include clustering, multi-source domain adaptation or generalization, and multi-view learning, among others. Although calculating the mean of pairwise distances between any two distributions serves as a common way to quantify the total divergence among multiple distributions, it is crucial to acknowledge that this approach is not straightforward and requires significant computational resources. In this study, we introduce a new divergence measure for multiple distributions named the generalized Cauchy-Schwarz divergence (GCSD), which is inspired by the classic Cauchy-Schwarz divergence. Additionally, we provide a closed-form sample estimator based on kernel density estimation, making it convenient and straightforward to use in various machine-learning applications. Finally, we apply the proposed GCSD to two challenging machine learning tasks, namely deep learning-based clustering and the problem of multi-source domain adaptation. The experimental results showcase the impressive performance of GCSD in both tasks, highlighting its potential application in machine-learning areas that involve quantifying multiple distributions.

Cauchy-Schwarz Divergence Information Bottleneck for Regression

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation $\mathbf{t}$ by striking a trade-off between a compression term $I(\mathbf{x};\mathbf{t})$ and a prediction term $I(y;\mathbf{t})$, where $I(\cdot;\cdot)$ refers to the mutual information (MI). MI is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane. The code is available at \url{https://github.com/SJYuCNEL/Cauchy-Schwarz-Information-Bottleneck}.

View it like a radiologist: Shifted windows for deep learning augmentation of CT images

Deep learning has the potential to revolutionize medical practice by automating and performing important tasks like detecting and delineating the size and locations of cancers in medical images. However, most deep learning models rely on augmentation techniques that treat medical images as natural images. For contrast-enhanced Computed Tomography (CT) images in particular, the signals producing the voxel intensities have physical meaning, which is lost during preprocessing and augmentation when treating such images as natural images. To address this, we propose a novel preprocessing and intensity augmentation scheme inspired by how radiologists leverage multiple viewing windows when evaluating CT images. Our proposed method, window shifting, randomly places the viewing windows around the region of interest during training. This approach improves liver lesion segmentation performance and robustness on images with poorly timed contrast agent. Our method outperforms classical intensity augmentations as well as the intensity augmentation pipeline of the popular nn-UNet on multiple datasets.

On the Effects of Self-supervision and Contrastive Alignment in Deep Multi-view Clustering

Self-supervised learning is a central component in recent approaches to deep multi-view clustering (MVC). However, we find large variations in the development of self-supervision-based methods for deep MVC, potentially slowing the progress of the field. To address this, we present DeepMVC, a unified framework for deep MVC that includes many recent methods as instances. We leverage our framework to make key observations about the effect of self-supervision, and in particular, drawbacks of aligning representations with contrastive learning. Further, we prove that contrastive alignment can negatively influence cluster separability, and that this effect becomes worse when the number of views increases. Motivated by our findings, we develop several new DeepMVC instances with new forms of self-supervision. We conduct extensive experiments and find that (i) in line with our theoretical findings, contrastive alignments decreases performance on datasets with many views; (ii) all methods benefit from some form of self-supervision; and (iii) our new instances outperform previous methods on several datasets. Based on our results, we suggest several promising directions for future research. To enhance the openness of the field, we provide an open-source implementation of DeepMVC, including recent models and our new instances. Our implementation includes a consistent evaluation protocol, facilitating fair and accurate evaluation of methods and components.

Hubs and Hyperspheres: Reducing Hubness and Improving Transductive Few-shot Learning with Hyperspherical Embeddings

Distance-based classification is frequently used in transductive few-shot learning (FSL). However, due to the high-dimensionality of image representations, FSL classifiers are prone to suffer from the hubness problem, where a few points (hubs) occur frequently in multiple nearest neighbour lists of other points. Hubness negatively impacts distance-based classification when hubs from one class appear often among the nearest neighbors of points from another class, degrading the classifier's performance. To address the hubness problem in FSL, we first prove that hubness can be eliminated by distributing representations uniformly on the hypersphere. We then propose two new approaches to embed representations on the hypersphere, which we prove optimize a tradeoff between uniformity and local similarity preservation -- reducing hubness while retaining class structure. Our experiments show that the proposed methods reduce hubness, and significantly improves transductive FSL accuracy for a wide range of classifiers.

The Conditional Cauchy-Schwarz Divergence with Applications to Time-Series Data and Sequential Decision Making

The Cauchy-Schwarz (CS) divergence was developed by Pr\'{i}ncipe et al. in 2000. In this paper, we extend the classic CS divergence to quantify the closeness between two conditional distributions and show that the developed conditional CS divergence can be simply estimated by a kernel density estimator from given samples. We illustrate the advantages (e.g., the rigorous faithfulness guarantee, the lower computational complexity, the higher statistical power, and the much more flexibility in a wide range of applications) of our conditional CS divergence over previous proposals, such as the conditional KL divergence and the conditional maximum mean discrepancy. We also demonstrate the compelling performance of conditional CS divergence in two machine learning tasks related to time series data and sequential inference, namely the time series clustering and the uncertainty-guided exploration for sequential decision making.

ProtoVAE: A Trustworthy Self-Explainable Prototypical Variational Model

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.

A clinically motivated self-supervised approach for content-based image retrieval of CT liver images

Deep learning-based approaches for content-based image retrieval (CBIR) of CT liver images is an active field of research, but suffers from some critical limitations. First, they are heavily reliant on labeled data, which can be challenging and costly to acquire. Second, they lack transparency and explainability, which limits the trustworthiness of deep CBIR systems. We address these limitations by (1) proposing a self-supervised learning framework that incorporates domain-knowledge into the training procedure and (2) providing the first representation learning explainability analysis in the context of CBIR of CT liver images. Results demonstrate improved performance compared to the standard self-supervised approach across several metrics, as well as improved generalisation across datasets. Further, we conduct the first representation learning explainability analysis in the context of CBIR, which reveals new insights into the feature extraction process. Lastly, we perform a case study with cross-examination CBIR that demonstrates the usability of our proposed framework. We believe that our proposed framework could play a vital role in creating trustworthy deep CBIR systems that can successfully take advantage of unlabeled data.