Sören Dittmer

Tolou Shadbahr, Michael Roberts, Jan Stanczuk et al.

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.

Fan Zhang, Daniel Kreuter, Yichen Chen et al.

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.

Sören Dittmer, Michael Roberts, Julian Gilbey et al.

In this perspective, we argue that despite the democratization of powerful tools for data science and machine learning over the last decade, developing the code for a trustworthy and effective data science system (DSS) is getting harder. Perverse incentives and a lack of widespread software engineering (SE) skills are among many root causes we identify that naturally give rise to the current systemic crisis in reproducibility of DSSs. We analyze why SE and building large complex systems is, in general, hard. Based on these insights, we identify how SE addresses those difficulties and how we can apply and generalize SE methods to construct DSSs that are fit for purpose. We advocate two key development philosophies, namely that one should incrementally grow -- not biphasically plan and build -- DSSs, and one should always employ two types of feedback loops during development: one which tests the code's correctness and another that evaluates the code's efficacy.

Tamara G. Grossmann, Sören Dittmer, Yury Korolev et al.

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. Solving the TV flow is challenging; one reason is the the non-uniqueness of the subgradients. 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, an unsupervised neural network approach, to approximate the solution of the TV flow given an initial image and a time instance. The TVflowNET requires no ground truth data but rather makes use of the PDE for optimisation of the network parameters. We circumvent the challenges related to the non-uniqueness of the subgradients by additionally learning the related diffusivity term. Our approach significantly speeds up the computation time and we show that the TVflowNET approximates the TV flow solution with high fidelity for different image sizes and image types. Additionally, we give a full comparison of different network architecture designs as well as training regimes to underscore the effectiveness of our approach.

Sören Dittmer, David Erzmann, Henrik Harms et al.

Recent developments in Deep Learning (DL) suggest a vast potential for Topology Optimization (TO). However, while there are some promising attempts, the subfield still lacks a firm footing regarding basic methods and datasets. We aim to address both points. First, we explore physics-based preprocessing and equivariant networks to create sample-efficient components for TO DL pipelines. We evaluate them in a large-scale ablation study using end-to-end supervised training. The results demonstrate a drastic improvement in sample efficiency and the predictions' physical correctness. Second, to improve comparability and future progress, we publish the two first TO datasets containing problems and corresponding ground truth solutions.

Sören Dittmer, Michael Roberts, Jacobus Preller et al.

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.

Michael Roberts, Alon Hazan, Sören Dittmer et al.

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.

Yichen Kelly Chen, Sören Dittmer, Kinga Bernatowicz et al.

We propose a neural-network based survival model (SurvSurf) specifically designed for direct and simultaneous probabilistic prediction of the first hitting time of sequential events from baseline. Unlike existing models, SurvSurf is theoretically guaranteed to never violate the monotonic relationship between the cumulative incidence functions of sequential events, while allowing nonlinear influence from predictors. It also incorporates implicit truths for unobserved intermediate events in model fitting, and supports both discrete and continuous time and events. We also identified a variant of the Integrated Brier Score (IBS) that showed robust correlation with the mean squared error (MSE) between the true and predicted probabilities by accounting for implied truths about the missing intermediate events. We demonstrated the superiority of SurvSurf compared to modern and traditional predictive survival models in two simulated datasets and two real-world datasets, using MSE, the more robust IBS and by measuring the extent of monotonicity violation.

Subhadip Mukherjee, Sören Dittmer, Zakhar Shumaylov et al.

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 desirable 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 sub-gradient-based algorithm that leads to a 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.

Sören Dittmer, Tobias Kluth, Mads Thorstein Roar Henriksen et al.

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.

Sören Dittmer, Carola-Bibiane Schönlieb, Peter Maass

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.

Sören Dittmer, Peter Maass

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.

Sören Dittmer, Tobias Kluth, Peter Maass et al.

The present paper studies so-called deep image prior (DIP) techniques in the context of ill-posed inverse problems. DIP networks have been recently introduced for applications in image processing; also first experimental results for applying DIP to inverse problems have been reported. This paper aims at discussing different interpretations of DIP and to obtain analytic results for specific network designs and linear operators. The main contribution is to introduce the idea of viewing these approaches as the optimization of Tikhonov functionals rather than optimizing networks. Besides theoretical results, we present numerical verifications.

Sören Dittmer, Emily J. King, Peter Maass

Despite their prevalence in neural networks we still lack a thorough theoretical characterization of ReLU layers. This paper aims to further our understanding of ReLU layers by studying how the activation function ReLU interacts with the linear component of the layer and what role this interaction plays in the success of the neural network in achieving its intended task. To this end, we introduce two new tools: ReLU singular values of operators and the Gaussian mean width of operators. By presenting on the one hand theoretical justifications, results, and interpretations of these two concepts and on the other hand numerical experiments and results of the ReLU singular values and the Gaussian mean width being applied to trained neural networks, we hope to give a comprehensive, singular-value-centric view of ReLU layers. We find that ReLU singular values and the Gaussian mean width do not only enable theoretical insights, but also provide one with metrics which seem promising for practical applications. In particular, these measures can be used to distinguish correctly and incorrectly classified data as it traverses the network. We conclude by introducing two tools based on our findings: double-layers and harmonic pruning.

Jens Behrmann, Sören Dittmer, Pascal Fernsel et al.

Studying the invertibility of deep neural networks (DNNs) provides a principled approach to better understand the behavior of these powerful models. Despite being a promising diagnostic tool, a consistent theory on their invertibility is still lacking. We derive a theoretically motivated approach to explore the preimages of ReLU-layers and mechanisms affecting the stability of the inverse. Using the developed theory, we numerically show how this approach uncovers characteristic properties of the network.