The curious case of the test set AUROC

Whilst the size and complexity of ML models have rapidly and significantly increased over the past decade, the methods for assessing their performance have not kept pace. In particular, among the many potential performance metrics, the ML community stubbornly continues to use (a) the area under the receiver operating characteristic curve (AUROC) for a validation and test cohort (distinct from training data) or (b) the sensitivity and specificity for the test data at an optimal threshold determined from the validation ROC. However, we argue that considering scores derived from the test ROC curve alone gives only a narrow insight into how a model performs and its ability to generalise.

Recent Methodological Advances in Federated Learning for Healthcare

For healthcare datasets, it is often not possible to combine data samples from multiple sites due to ethical, privacy or logistical concerns. Federated learning allows for the utilisation of powerful machine learning algorithms without requiring the pooling of data. Healthcare data has many simultaneous challenges which require new methodologies to address, such as highly-siloed data, class imbalance, missing data, distribution shifts and non-standardised variables. Federated learning adds significant methodological complexity to conventional centralised machine learning, requiring distributed optimisation, communication between nodes, aggregation of models and redistribution of models. In this systematic review, we consider all papers on Scopus that were published between January 2015 and February 2023 and which describe new federated learning methodologies for addressing challenges with healthcare data. We performed a detailed review of the 89 papers which fulfilled these criteria. Significant systemic issues were identified throughout the literature which compromise the methodologies in many of the papers reviewed. We give detailed recommendations to help improve the quality of the methodology development for federated learning in healthcare.

Reinterpreting survival analysis in the universal approximator age

Survival analysis is an integral part of the statistical toolbox. However, while most domains of classical statistics have embraced deep learning, survival analysis only recently gained some minor attention from the deep learning community. This recent development is likely in part motivated by the COVID-19 pandemic. We aim to provide the tools needed to fully harness the potential of survival analysis in deep learning. On the one hand, we discuss how survival analysis connects to classification and regression. On the other hand, we provide technical tools. We provide a new loss function, evaluation metrics, and the first universal approximating network that provably produces survival curves without numeric integration. We show that the loss function and model outperform other approaches using a large numerical study.

SELTO: Sample-Efficient Learned Topology Optimization

We present a sample-efficient deep learning strategy for topology optimization. Our end-to-end approach is supervised and includes physics-based preprocessing and equivariant networks. We analyze how different components of our deep learning pipeline influence the number of required training samples via a large-scale comparison. The results demonstrate that including physical concepts not only drastically improves the sample efficiency but also the predictions' physical correctness. Finally, we publish two topology optimization datasets containing problems and corresponding ground truth solutions. We are confident that these datasets will improve comparability and future progress in the field.

Classification of datasets with imputed missing values: does imputation quality matter?

Classifying samples in incomplete datasets is a common aim for machine learning practitioners, but is non-trivial. Missing data is found in most real-world datasets and these missing values are typically imputed using established methods, followed by classification of the now complete, imputed, samples. The focus of the machine learning researcher is then to optimise the downstream classification performance. In this study, we highlight that it is imperative to consider the quality of the imputation. We demonstrate how the commonly used measures for assessing quality are flawed and propose a new class of discrepancy scores which focus on how well the method recreates the overall distribution of the data. To conclude, we highlight the compromised interpretability of classifier models trained using poorly imputed data.

Unsupervised Learning of the Total Variation Flow

The total variation (TV) flow generates a scale-space representation of an image based on the TV functional. This gradient flow observes desirable features for images such as sharp edges and enables spectral, scale, and texture analysis. The standard numerical approach for TV flow requires solving multiple non-smooth optimisation problems. Even with state-of-the-art convex optimisation techniques, this is often prohibitively expensive and strongly motivates the use of alternative, faster approaches. Inspired by and extending the framework of physics-informed neural networks (PINNs), we propose the TVflowNET, a neural network approach to compute the solution of the TV flow given an initial image and a time instance. We significantly speed up the computation time by more than one order of magnitude and show that the TVflowNET approximates the TV flow solution with high fidelity. This is a preliminary report, more details are to follow.

Learned convex regularizers for inverse problems

We consider the variational reconstruction framework for inverse problems and propose to learn a data-adaptive input-convex neural network (ICNN) as the regularization functional. The ICNN-based convex regularizer is trained adversarially to discern ground-truth images from unregularized reconstructions. Convexity of the regularizer is attractive since (i) one can establish analytical convergence guarantees for the corresponding variational reconstruction problem and (ii) devise efficient and provable algorithms for reconstruction. In particular, we show that the optimal solution to the variational problem converges to the ground-truth if the penalty parameter decays sub-linearly with respect to the norm of the noise. Further, we prove the existence of a subgradient-based algorithm that leads to monotonically decreasing error in the parameter space with iterations. To demonstrate the performance of our approach for solving inverse problems, we consider the tasks of deblurring natural images and reconstructing images in computed tomography (CT), and show that the proposed convex regularizer is at least competitive with and sometimes superior to state-of-the-art data-driven techniques for inverse problems.

Deep image prior for 3D magnetic particle imaging: A quantitative comparison of regularization techniques on Open MPI dataset

Magnetic particle imaging (MPI) is an imaging modality exploiting the nonlinear magnetization behavior of (super-)paramagnetic nanoparticles to obtain a space- and often also time-dependent concentration of a tracer consisting of these nanoparticles. MPI has a continuously increasing number of potential medical applications. One prerequisite for successful performance in these applications is a proper solution to the image reconstruction problem. More classical methods from inverse problems theory, as well as novel approaches from the field of machine learning, have the potential to deliver high-quality reconstructions in MPI. We investigate a novel reconstruction approach based on a deep image prior, which builds on representing the solution by a deep neural network. Novel approaches, as well as variational and iterative regularization techniques, are compared quantitatively in terms of peak signal-to-noise ratios and structural similarity indices on the publicly available Open MPI dataset.

Ground Truth Free Denoising by Optimal Transport

We present a learned unsupervised denoising method for arbitrary types of data, which we explore on images and one-dimensional signals. The training is solely based on samples of noisy data and examples of noise, which -- critically -- do not need to come in pairs. We only need the assumption that the noise is independent and additive (although we describe how this can be extended). The method rests on a Wasserstein Generative Adversarial Network setting, which utilizes two critics and one generator.

A Projectional Ansatz to Reconstruction

Recently the field of inverse problems has seen a growing usage of mathematically only partially understood learned and non-learned priors. Based on first principles, we develop a projectional approach to inverse problems that addresses the incorporation of these priors, while still guaranteeing data consistency. We implement this projectional method (PM) on the one hand via very general Plug-and-Play priors and on the other hand, via an end-to-end training approach. To this end, we introduce a novel alternating neural architecture, allowing for the incorporation of highly customized priors from data in a principled manner. We also show how the recent success of Regularization by Denoising (RED) can, at least to some extent, be explained as an approximation of the PM. Furthermore, we demonstrate how the idea can be applied to stop the degradation of Deep Image Prior (DIP) reconstructions over time.