Christoph Brüne

Felix Lucka, Katharina Proksch, Christoph Brune et al.

This paper discusses the properties of certain risk estimators recently proposed to choose regularization parameters in ill-posed problems. A simple approach is Stein's unbiased risk estimator (SURE), which estimates the risk in the data space, while a recent modification (GSURE) estimates the risk in the space of the unknown variable. It seems intuitive that the latter is more appropriate for ill-posed problems, since the properties in the data space do not tell much about the quality of the reconstruction. We provide theoretical studies of both estimators for linear Tikhonov regularization in a finite dimensional setting and estimate the quality of the risk estimators, which also leads to asymptotic convergence results as the dimension of the problem tends to infinity. Unlike previous papers, who studied image processing problems with a very low degree of ill-posedness, we are interested in the behavior of the risk estimators for increasing ill-posedness. Interestingly, our theoretical results indicate that the quality of the GSURE risk can deteriorate asymptotically for ill-posed problems, which is confirmed by a detailed numerical study. The latter shows that in many cases the GSURE estimator leads to extremely small regularization parameters, which obviously cannot stabilize the reconstruction. Similar but less severe issues with respect to robustness also appear for the SURE estimator, which in comparison to the rather conservative discrepancy principle leads to the conclusion that regularization parameter choice based on unbiased risk estimation is not a reliable procedure for ill-posed problems. A similar numerical study for sparsity regularization demonstrates that the same issue appears in nonlinear variational regularization approaches.

Julian Suk, Pim de Haan, Phillip Lippe et al.

Computational fluid dynamics (CFD) is a valuable asset for patient-specific cardiovascular-disease diagnosis and prognosis, but its high computational demands hamper its adoption in practice. Machine-learning methods that estimate blood flow in individual patients could accelerate or replace CFD simulation to overcome these limitations. In this work, we consider the estimation of vector-valued quantities on the wall of three-dimensional geometric artery models. We employ group equivariant graph convolution in an end-to-end SE(3)-equivariant neural network that operates directly on triangular surface meshes and makes efficient use of training data. We run experiments on a large dataset of synthetic coronary arteries and find that our method estimates directional wall shear stress (WSS) with an approximation error of 7.6% and normalised mean absolute error (NMAE) of 0.4% while up to two orders of magnitude faster than CFD. Furthermore, we show that our method is powerful enough to accurately predict transient, vector-valued WSS over the cardiac cycle while conditioned on a range of different inflow boundary conditions. These results demonstrate the potential of our proposed method as a plugin replacement for CFD in the personalised prediction of hemodynamic vector and scalar fields.

Nicolò Botteghi, Mannes Poel, Christoph Brune

This review addresses the problem of learning abstract representations of the measurement data in the context of Deep Reinforcement Learning (DRL). While the data are often ambiguous, high-dimensional, and complex to interpret, many dynamical systems can be effectively described by a low-dimensional set of state variables. Discovering these state variables from the data is a crucial aspect for (i) improving the data efficiency, robustness, and generalization of DRL methods, (ii) tackling the curse of dimensionality, and (iii) bringing interpretability and insights into black-box DRL. This review provides a comprehensive and complete overview of unsupervised representation learning in DRL by describing the main Deep Learning tools used for learning representations of the world, providing a systematic view of the method and principles, summarizing applications, benchmarks and evaluation strategies, and discussing open challenges and future directions.

Dieuwertje Alblas, Christoph Brune, Kak Khee Yeung et al.

Personalised 3D vascular models are valuable for diagnosis, prognosis and treatment planning in patients with cardiovascular disease. Traditionally, such models have been constructed with explicit representations such as meshes and voxel masks, or implicit representations such as radial basis functions or atomic (tubular) shapes. Here, we propose to represent surfaces by the zero level set of their signed distance function (SDF) in a differentiable implicit neural representation (INR). This allows us to model complex vascular structures with a representation that is implicit, continuous, light-weight, and easy to integrate with deep learning algorithms. We here demonstrate the potential of this approach with three practical examples. First, we obtain an accurate and watertight surface for an abdominal aortic aneurysm (AAA) from CT images and show robust fitting from as little as 200 points on the surface. Second, we simultaneously fit nested vessel walls in a single INR without intersections. Third, we show how 3D models of individual arteries can be smoothly blended into a single watertight surface. Our results show that INRs are a flexible representation with potential for minimally interactive annotation and manipulation of complex vascular structures.

Shunxin Wang, Raymond Veldhuis, Christoph Brune et al.

Frequency analysis is useful for understanding the mechanisms of representation learning in neural networks (NNs). Most research in this area focuses on the learning dynamics of NNs for regression tasks, while little for classification. This study empirically investigates the latter and expands the understanding of frequency shortcuts. First, we perform experiments on synthetic datasets, designed to have a bias in different frequency bands. Our results demonstrate that NNs tend to find simple solutions for classification, and what they learn first during training depends on the most distinctive frequency characteristics, which can be either low- or high-frequencies. Second, we confirm this phenomenon on natural images. We propose a metric to measure class-wise frequency characteristics and a method to identify frequency shortcuts. The results show that frequency shortcuts can be texture-based or shape-based, depending on what best simplifies the objective. Third, we validate the transferability of frequency shortcuts on out-of-distribution (OOD) test sets. Our results suggest that frequency shortcuts can be transferred across datasets and cannot be fully avoided by larger model capacity and data augmentation. We recommend that future research should focus on effective training schemes mitigating frequency shortcut learning.

Julian Suk, Christoph Brune, Jelmer M. Wolterink

Hemodynamic velocity fields in coronary arteries could be the basis of valuable biomarkers for diagnosis, prognosis and treatment planning in cardiovascular disease. Velocity fields are typically obtained from patient-specific 3D artery models via computational fluid dynamics (CFD). However, CFD simulation requires meticulous setup by experts and is time-intensive, which hinders large-scale acceptance in clinical practice. To address this, we propose graph neural networks (GNN) as an efficient black-box surrogate method to estimate 3D velocity fields mapped to the vertices of tetrahedral meshes of the artery lumen. We train these GNNs on synthetic artery models and CFD-based ground truth velocity fields. Once the GNN is trained, velocity estimates in a new and unseen artery can be obtained with 36-fold speed-up compared to CFD. We demonstrate how to construct an SE(3)-equivariant GNN that is independent of the spatial orientation of the input mesh and show how this reduces the necessary amount of training data compared to a baseline neural network.

Dieuwertje Alblas, Marieke Hofman, Christoph Brune et al.

Abdominal aortic aneurysms (AAAs) are progressive dilatations of the abdominal aorta that, if left untreated, can rupture with lethal consequences. Imaging-based patient monitoring is required to select patients eligible for surgical repair. In this work, we present a model based on implicit neural representations (INRs) to model AAA progression. We represent the AAA wall over time as the zero-level set of a signed distance function (SDF), estimated by a multilayer perception that operates on space and time. We optimize this INR using automatically extracted segmentation masks in longitudinal CT data. This network is conditioned on spatiotemporal coordinates and represents the AAA surface at any desired resolution at any moment in time. Using regularization on spatial and temporal gradients of the SDF, we ensure proper interpolation of the AAA shape. We demonstrate the network's ability to produce AAA interpolations with average surface distances ranging between 0.72 and 2.52 mm from images acquired at highly irregular intervals. The results indicate that our model can accurately interpolate AAA shapes over time, with potential clinical value for a more personalised assessment of AAA progression.

Julian Suk, Dieuwertje Alblas, Barbara A. Hutten et al.

Hemodynamic quantities are valuable biomedical risk factors for cardiovascular pathology such as atherosclerosis. Non-invasive, in-vivo measurement of these quantities can only be performed using a select number of modalities that are not widely available, such as 4D flow magnetic resonance imaging (MRI). In this work, we create a surrogate model for hemodynamic flow field estimation, powered by machine learning. We train graph neural networks that include priors about the underlying symmetries and physics, limiting the amount of data required for training. This allows us to train the model using moderately-sized, in-vivo 4D flow MRI datasets, instead of large in-silico datasets obtained by computational fluid dynamics (CFD), as is the current standard. We create an efficient, equivariant neural network by combining the popular PointNet++ architecture with group-steerable layers. To incorporate the physics-informed priors, we derive an efficient discretisation scheme for the involved differential operators. We perform extensive experiments in carotid arteries and show that our model can accurately estimate low-noise hemodynamic flow fields in the carotid artery. Moreover, we show how the learned relation between geometry and hemodynamic quantities transfers to 3D vascular models obtained using a different imaging modality than the training data. This shows that physics-informed graph neural networks can be trained using 4D flow MRI data to estimate blood flow in unseen carotid artery geometries.

Dieuwertje Alblas, Julian Suk, Christoph Brune et al.

Blood vessel orientation as visualized in 3D medical images is an important descriptor of its geometry that can be used for centerline extraction and subsequent segmentation and visualization. Arteries appear at many scales and levels of tortuosity, and determining their exact orientation is challenging. Recent works have used 3D convolutional neural networks (CNNs) for this purpose, but CNNs are sensitive to varying vessel sizes and orientations. We present SIRE: a scale-invariant, rotation-equivariant estimator for local vessel orientation. SIRE is modular and can generalise due to symmetry preservation. SIRE consists of a gauge equivariant mesh CNN (GEM-CNN) operating on multiple nested spherical meshes with different sizes in parallel. The features on each mesh are a projection of image intensities within the corresponding sphere. These features are intrinsic to the sphere and, in combination with the GEM-CNN, lead to SO(3)-equivariance. Approximate scale invariance is achieved by weight sharing and use of a symmetric maximum function to combine multi-scale predictions. Hence, SIRE can be trained with arbitrarily oriented vessels with varying radii to generalise to vessels with a wide range of calibres and tortuosity. We demonstrate the efficacy of SIRE using three datasets containing vessels of varying scales: the vascular model repository (VMR), the ASOCA coronary artery set, and a set of abdominal aortic aneurysms (AAAs). We embed SIRE in a centerline tracker which accurately tracks AAAs, regardless of the data SIRE is trained with. Moreover, SIRE can be used to track coronary arteries, even when trained only with AAAs. In conclusion, by incorporating SO(3) and scale symmetries, SIRE can determine the orientations of vessels outside of the training domain, forming a robust and data-efficient solution to geometric analysis of blood vessels in 3D medical images.

Elina Thibeau-Sutre, Dieuwertje Alblas, Sophie Buurman et al.

The application of deep learning models to large-scale data sets requires means for automatic quality assurance. We have previously developed a fully automatic algorithm for carotid artery wall segmentation in black-blood MRI that we aim to apply to large-scale data sets. This method identifies nested artery walls in 3D patches centered on the carotid artery. In this study, we investigate to what extent the uncertainty in the model predictions for the contour location can serve as a surrogate for error detection and, consequently, automatic quality assurance. We express the quality of automatic segmentations using the Dice similarity coefficient. The uncertainty in the model's prediction is estimated using either Monte Carlo dropout or test-time data augmentation. We found that (1) including uncertainty measurements did not degrade the quality of the segmentations, (2) uncertainty metrics provide a good proxy of the quality of our contours if the center found during the first step is enclosed in the lumen of the carotid artery and (3) they could be used to detect low-quality segmentations at the participant level. This automatic quality assurance tool might enable the application of our model in large-scale data sets.

Shunxin Wang, Christoph Brune, Raymond Veldhuis et al.

Neural networks are prone to learn easy solutions from superficial statistics in the data, namely shortcut learning, which impairs generalization and robustness of models. We propose a data augmentation strategy, named DFM-X, that leverages knowledge about frequency shortcuts, encoded in Dominant Frequencies Maps computed for image classification models. We randomly select X% training images of certain classes for augmentation, and process them by retaining the frequencies included in the DFMs of other classes. This strategy compels the models to leverage a broader range of frequencies for classification, rather than relying on specific frequency sets. Thus, the models learn more deep and task-related semantics compared to their counterpart trained with standard setups. Unlike other commonly used augmentation techniques which focus on increasing the visual variations of training data, our method targets exploiting the original data efficiently, by distilling prior knowledge about destructive learning behavior of models from data. Our experimental results demonstrate that DFM-X improves robustness against common corruptions and adversarial attacks. It can be seamlessly integrated with other augmentation techniques to further enhance the robustness of models.

Nicolò Botteghi, Mengwu Guo, Christoph Brune

This work proposes a Stochastic Variational Deep Kernel Learning method for the data-driven discovery of low-dimensional dynamical models from high-dimensional noisy data. The framework is composed of an encoder that compresses high-dimensional measurements into low-dimensional state variables, and a latent dynamical model for the state variables that predicts the system evolution over time. The training of the proposed model is carried out in an unsupervised manner, i.e., not relying on labeled data. Our learning method is evaluated on the motion of a pendulum -- a well studied baseline for nonlinear model identification and control with continuous states and control inputs -- measured via high-dimensional noisy RGB images. Results show that the method can effectively denoise measurements, learn compact state representations and latent dynamical models, as well as identify and quantify modeling uncertainties.

Ioana Mazilu, Shunxin Wang, Sven Dummer et al.

Though modern microscopes have an autofocusing system to ensure optimal focus, out-of-focus images can still occur when cells within the medium are not all in the same focal plane, affecting the image quality for medical diagnosis and analysis of diseases. We propose a method that can deblur images as well as synthesize defocus blur. We train autoencoders with implicit and explicit regularization techniques to enforce linearity relations among the representations of different blur levels in the latent space. This allows for the exploration of different blur levels of an object by linearly interpolating/extrapolating the latent representations of images taken at different focal planes. Compared to existing works, we use a simple architecture to synthesize images with flexible blur levels, leveraging the linear latent space. Our regularized autoencoders can effectively mimic blur and deblur, increasing data variety as a data augmentation technique and improving the quality of microscopic images, which would be beneficial for further processing and analysis.

Puru Vaish, Felix Meister, Tobias Heimann et al.

Many recent approaches in representation learning implicitly assume that uncorrelated views of a data point are sufficient to learn meaningful representations for various downstream tasks. In this work, we challenge this assumption and demonstrate that meaningful structure in the latent space does not emerge naturally. Instead, it must be explicitly induced. We propose a method that aligns representations from different views of the data to align complementary information without inducing false positives. Our experiments show that our proposed self-supervised learning method, Consistent View Alignment, improves performance for downstream tasks, highlighting the critical role of structured view alignment in learning effective representations. Our method achieved first and second place in the MICCAI 2025 SSL3D challenge when using a Primus vision transformer and ResEnc convolutional neural network, respectively. The code and pretrained model weights are released at https://github.com/Tenbatsu24/LatentCampus.

Julian Suk, Guido Nannini, Patryk Rygiel et al.

Cardiovascular hemodynamic fields provide valuable medical decision markers for coronary artery disease. Computational fluid dynamics (CFD) is the gold standard for accurate, non-invasive evaluation of these quantities in silico. In this work, we propose a time-efficient surrogate model, powered by machine learning, for the estimation of pulsatile hemodynamics based on steady-state priors. We introduce deep vectorised operators, a modelling framework for discretisation-independent learning on infinite-dimensional function spaces. The underlying neural architecture is a neural field conditioned on hemodynamic boundary conditions. Importantly, we show how relaxing the requirement of point-wise action to permutation-equivariance leads to a family of models that can be parametrised by message passing and self-attention layers. We evaluate our approach on a dataset of 74 stenotic coronary arteries extracted from coronary computed tomography angiography (CCTA) with patient-specific pulsatile CFD simulations as ground truth. We show that our model produces accurate estimates of the pulsatile velocity and pressure (approximation disparity 0.368 $\pm$ 0.079) while being agnostic ($p < 0.05$ in a one-way ANOVA test) to re-sampling of the source domain, i.e. discretisation-independent. This shows that deep vectorised operators are a powerful modelling tool for cardiovascular hemodynamics estimation in coronary arteries and beyond.

Sven Dummer, Dongwei Ye, Christoph Brune

Time-dependent partial differential equations are ubiquitous in physics-based modeling, but they remain computationally intensive in many-query scenarios, such as real-time forecasting, optimal control, and uncertainty quantification. Reduced-order modeling (ROM) addresses these challenges by constructing a low-dimensional surrogate model but relies on a fixed discretization, which limits flexibility across varying meshes during evaluation. Operator learning approaches, such as neural operators, offer an alternative by parameterizing mappings between infinite-dimensional function spaces, enabling adaptation to data across different resolutions. Whereas ROM provides rigorous numerical error estimates, neural operator learning largely focuses on discretization convergence and invariance without quantifying the error between the infinite-dimensional and the discretized operators. This work introduces the reduced-order neural operator modeling (RONOM) framework, which bridges concepts from ROM and operator learning. We establish a discretization error bound analogous to those in ROM, and get insights into RONOM's discretization convergence and discretization robustness. Moreover, two numerical examples are presented that compare RONOM to existing neural operators for solving partial differential equations. The results demonstrate that RONOM using standard vector-to-vector neural networks achieves comparable performance in input generalization and superior performance in both spatial super-resolution and discretization robustness, while also offering novel insights into temporal super-resolution scenarios.

Dieuwertje Alblas, Patryk Rygiel, Julian Suk et al.

Abdominal aortic aneurysms (AAAs) are progressive focal dilatations of the abdominal aorta. AAAs may rupture, with a survival rate of only 20\%. Current clinical guidelines recommend elective surgical repair when the maximum AAA diameter exceeds 55 mm in men or 50 mm in women. Patients that do not meet these criteria are periodically monitored, with surveillance intervals based on the maximum AAA diameter. However, this diameter does not take into account the complex relation between the 3D AAA shape and its growth, making standardized intervals potentially unfit. Personalized AAA growth predictions could improve monitoring strategies. We propose to use an SE(3)-symmetric transformer model to predict AAA growth directly on the vascular model surface enriched with local, multi-physical features. In contrast to other works which have parameterized the AAA shape, this representation preserves the vascular surface's anatomical structure and geometric fidelity. We train our model using a longitudinal dataset of 113 computed tomography angiography (CTA) scans of 24 AAA patients at irregularly sampled intervals. After training, our model predicts AAA growth to the next scan moment with a median diameter error of 1.18 mm. We further demonstrate our model's utility to identify whether a patient will become eligible for elective repair within two years (acc = 0.93). Finally, we evaluate our model's generalization on an external validation set consisting of 25 CTAs from 7 AAA patients from a different hospital. Our results show that local directional AAA growth prediction from the vascular surface is feasible and may contribute to personalized surveillance strategies.

Sven Dummer, Puru Vaish, Christoph Brune

Dynamic imaging is critical for understanding and visualizing dynamic biological processes in medicine and cell biology. These applications often encounter the challenge of a limited amount of time series data and time points, which hinders learning meaningful patterns. Regularization methods provide valuable prior knowledge to address this challenge, enabling the extraction of relevant information despite the scarcity of time-series data and time points. In particular, low-dimensionality assumptions on the image manifold address sample scarcity, while time progression models, such as optimal transport (OT), provide priors on image development to mitigate the lack of time points. Existing approaches using low-dimensionality assumptions disregard a temporal prior but leverage information from multiple time series. OT-prior methods, however, incorporate the temporal prior but regularize only individual time series, ignoring information from other time series of the same image modality. In this work, we investigate the effect of integrating a low-dimensionality assumption of the underlying image manifold with an OT regularizer for time-evolving images. In particular, we propose a latent model representation of the underlying image manifold and promote consistency between this representation, the time series data, and the OT prior on the time-evolving images. We discuss the advantages of enriching OT interpolations with latent models and integrating OT priors into latent models.

Weihao Yan, Christoph Brune, Mengwu Guo

Many physics-informed machine learning methods for PDE-based problems rely on Gaussian processes (GPs) or neural networks (NNs). However, both face limitations when data are scarce and the dimensionality is high. Although GPs are known for their robust uncertainty quantification in low-dimensional settings, their computational complexity becomes prohibitive as the dimensionality increases. In contrast, while conventional NNs can accommodate high-dimensional input, they often require extensive training data and do not offer uncertainty quantification. To address these challenges, we propose a PDE-constrained Deep Kernel Learning (PDE-DKL) framework that combines DL and GPs under explicit PDE constraints. Specifically, NNs learn a low-dimensional latent representation of the high-dimensional PDE problem, reducing the complexity of the problem. GPs then perform kernel regression subject to the governing PDEs, ensuring accurate solutions and principled uncertainty quantification, even when available data are limited. This synergy unifies the strengths of both NNs and GPs, yielding high accuracy, robust uncertainty estimates, and computational efficiency for high-dimensional PDEs. Numerical experiments demonstrate that PDE-DKL achieves high accuracy with reduced data requirements. They highlight its potential as a practical, reliable, and scalable solver for complex PDE-based applications in science and engineering.

Tjeerd Jan Heeringa, Len Spek, Christoph Brune

Identifying an appropriate function space for deep neural networks remains a key open question. While shallow neural networks are naturally associated with Reproducing Kernel Banach Spaces (RKBS), deep networks present unique challenges. In this work, we extend RKBS to chain RKBS (cRKBS), a new framework that composes kernels rather than functions, preserving the desirable properties of RKBS. We prove that any deep neural network function is a neural cRKBS function, and conversely, any neural cRKBS function defined on a finite dataset corresponds to a deep neural network. This approach provides a sparse solution to the empirical risk minimization problem, requiring no more than $N$ neurons per layer, where $N$ is the number of data points.

Patryk Rygiel, Dieuwertje Alblas, Christoph Brune et al.

Personalized 3D vascular models can aid in a range of diagnostic, prognostic, and treatment-planning tasks relevant to cardiovascular disease management. Deep learning provides a means to obtain such models automatically from image data. Ideally, a user should have control over the included region in the vascular model. Additionally, the model should be watertight and highly accurate. To this end, we propose a combination of a global controller leveraging voxel mask segmentations to provide boundary conditions for vessels of interest to a local, iterative vessel segmentation model. We introduce the preservation of scale- and rotational symmetries in the local segmentation model, leading to generalisation to vessels of unseen sizes and orientations. Combined with the global controller, this enables flexible 3D vascular model building, without additional retraining. We demonstrate the potential of our method on a dataset containing abdominal aortic aneurysms (AAAs). Our method performs on par with a state-of-the-art segmentation model in the segmentation of AAAs, iliac arteries, and renal arteries, while providing a watertight, smooth surface representation. Moreover, we demonstrate that by adapting the global controller, we can easily extend vessel sections in the 3D model.

Weihao Yan, Christoph Brune, Mengwu Guo

Inferring parameters of high-dimensional partial differential equations (PDEs) poses significant computational and inferential challenges, primarily due to the curse of dimensionality and the inherent limitations of traditional numerical methods. This paper introduces a novel two-stage Bayesian framework that synergistically integrates training, physics-based deep kernel learning (DKL) with Hamiltonian Monte Carlo (HMC) to robustly infer unknown PDE parameters and quantify their uncertainties from sparse, exact observations. The first stage leverages physics-based DKL to train a surrogate model, which jointly yields an optimized neural network feature extractor and robust initial estimates for the PDE parameters. In the second stage, with the neural network weights fixed, HMC is employed within a full Bayesian framework to efficiently sample the joint posterior distribution of the kernel hyperparameters and the PDE parameters. Numerical experiments on canonical and high-dimensional inverse PDE problems demonstrate that our framework accurately estimates parameters, provides reliable uncertainty estimates, and effectively addresses challenges of data sparsity and model complexity, offering a robust and scalable tool for diverse scientific and engineering applications.

Puru Vaish, Felix Meister, Tobias Heimann et al.

Medical image segmentation models are often trained on curated datasets, leading to performance degradation when deployed in real-world clinical settings due to mismatches between training and test distributions. While data augmentation techniques are widely used to address these challenges, traditional visually consistent augmentation strategies lack the robustness needed for diverse real-world scenarios. In this work, we systematically evaluate alternative augmentation strategies, focusing on MixUp and Auxiliary Fourier Augmentation. These methods mitigate the effects of multiple variations without explicitly targeting specific sources of distribution shifts. We demonstrate how these techniques significantly improve out-of-distribution generalization and robustness to imaging variations across a wide range of transformations in cardiac cine MRI and prostate MRI segmentation. We quantitatively find that these augmentation methods enhance learned feature representations by promoting separability and compactness. Additionally, we highlight how their integration into nnU-Net training pipelines provides an easy-to-implement, effective solution for enhancing the reliability of medical segmentation models in real-world applications.

Tjeerd Jan Heeringa, Christoph Brune, Mengwu Guo

Classical model reduction techniques project the governing equations onto a linear subspace of the original state space. More recent data-driven techniques use neural networks to enable nonlinear projections. Whilst those often enable stronger compression, they may have redundant parameters and lead to suboptimal latent dimensionality. To overcome these, we propose a multistep algorithm that induces sparsity in the encoder-decoder networks for effective reduction in the number of parameters and additional compression of the latent space. This algorithm starts with sparsely initialized a network and training it using linearized Bregman iterations. These iterations have been very successful in computer vision and compressed sensing tasks, but have not yet been used for reduced-order modelling. After the training, we further compress the latent space dimensionality by using a form of proper orthogonal decomposition. Last, we use a bias propagation technique to change the induced sparsity into an effective reduction of parameters. We apply this algorithm to three representative PDE models: 1D diffusion, 1D advection, and 2D reaction-diffusion. Compared to conventional training methods like Adam, the proposed method achieves similar accuracy with 30% less parameters and a significantly smaller latent space.

Tjeerd Jan Heeringa, Tim Roith, Christoph Brune et al.

This paper presents a method for finding a sparse representation of Barron functions. Specifically, given an $L^2$ function $f$, the inverse scale space flow is used to find a sparse measure $μ$ minimising the $L^2$ loss between the Barron function associated to the measure $μ$ and the function $f$. The convergence properties of this method are analysed in an ideal setting and in the cases of measurement noise and sampling bias. In an ideal setting the objective decreases strictly monotone in time to a minimizer with $\mathcal{O}(1/t)$, and in the case of measurement noise or sampling bias the optimum is achieved up to a multiplicative or additive constant. This convergence is preserved on discretization of the parameter space, and the minimizers on increasingly fine discretizations converge to the optimum on the full parameter space.

Tjeerd Jan Heeringa, Len Spek, Felix Schwenninger et al.

The approximation properties of infinitely wide shallow neural networks heavily depend on the choice of the activation function. To understand this influence, we study embeddings between Barron spaces with different activation functions. These embeddings are proven by providing push-forward maps on the measures $μ$ used to represent functions $f$. An activation function of particular interest is the rectified power unit ($\operatorname{RePU}$) given by $\operatorname{RePU}_s(x)=\max(0,x)^s$. For many commonly used activation functions, the well-known Taylor remainder theorem can be used to construct a push-forward map, which allows us to prove the embedding of the associated Barron space into a Barron space with a $\operatorname{RePU}$ as activation function. Moreover, the Barron spaces associated with the $\operatorname{RePU}_s$ have a hierarchical structure similar to the Sobolev spaces $H^m$.

Sven Dummer, Nicola Strisciuglio, Christoph Brune

Diffeomorphic registration frameworks such as Large Deformation Diffeomorphic Metric Mapping (LDDMM) are used in computer graphics and the medical domain for atlas building, statistical latent modeling, and pairwise and groupwise registration. In recent years, researchers have developed neural network-based approaches regarding diffeomorphic registration to improve the accuracy and computational efficiency of traditional methods. In this work, we focus on a limitation of neural network-based atlas building and statistical latent modeling methods, namely that they either are (i) resolution dependent or (ii) disregard any data- or problem-specific geometry needed for proper mean-variance analysis. In particular, we overcome this limitation by designing a novel encoder based on resolution-independent implicit neural representations. The encoder achieves resolution invariance for LDDMM-based statistical latent modeling. Additionally, the encoder adds LDDMM Riemannian geometry to resolution-independent deep learning models for statistical latent modeling. We investigate how the Riemannian geometry improves latent modeling and is required for a proper mean-variance analysis. To highlight the benefit of resolution independence for LDDMM-based data variability modeling, we show that our approach outperforms current neural network-based LDDMM latent code models. Our work paves the way for more research into how Riemannian geometry, shape respectively image analysis, and deep learning can be combined.

Dieuwertje Alblas, Christoph Brune, Jelmer M. Wolterink

Carotid artery vessel wall thickness measurement is an essential step in the monitoring of patients with atherosclerosis. This requires accurate segmentation of the vessel wall, i.e., the region between an artery's lumen and outer wall, in black-blood magnetic resonance (MR) images. Commonly used convolutional neural networks (CNNs) for semantic segmentation are suboptimal for this task as their use does not guarantee a contiguous ring-shaped segmentation. Instead, in this work, we cast vessel wall segmentation as a multi-task regression problem in a polar coordinate system. For each carotid artery in each axial image slice, we aim to simultaneously find two non-intersecting nested contours that together delineate the vessel wall. CNNs applied to this problem enable an inductive bias that guarantees ring-shaped vessel walls. Moreover, we identify a problem-specific training data augmentation technique that substantially affects segmentation performance. We apply our method to segmentation of the internal and external carotid artery wall, and achieve top-ranking quantitative results in a public challenge, i.e., a median Dice similarity coefficient of 0.813 for the vessel wall and median Hausdorff distances of 0.552 mm and 0.776 mm for lumen and outer wall, respectively. Moreover, we show how the method improves over a conventional semantic segmentation approach. These results show that it is feasible to automatically obtain anatomically plausible segmentations of the carotid vessel wall with high accuracy.

Julian Suk, Pim de Haan, Phillip Lippe et al.

Computational fluid dynamics (CFD) is a valuable tool for personalised, non-invasive evaluation of hemodynamics in arteries, but its complexity and time-consuming nature prohibit large-scale use in practice. Recently, the use of deep learning for rapid estimation of CFD parameters like wall shear stress (WSS) on surface meshes has been investigated. However, existing approaches typically depend on a hand-crafted re-parametrisation of the surface mesh to match convolutional neural network architectures. In this work, we propose to instead use mesh convolutional neural networks that directly operate on the same finite-element surface mesh as used in CFD. We train and evaluate our method on two datasets of synthetic coronary artery models with and without bifurcation, using a ground truth obtained from CFD simulation. We show that our flexible deep learning model can accurately predict 3D WSS vectors on this surface mesh. Our method processes new meshes in less than 5 [s], consistently achieves a normalised mean absolute error of $\leq$ 1.6 [%], and peaks at 90.5 [%] median approximation accuracy over the held-out test set, comparing favourably to previously published work. This demonstrates the feasibility of CFD surrogate modelling using mesh convolutional neural networks for hemodynamic parameter estimation in artery models.

Nicolò Botteghi, Luuk Grefte, Mannes Poel et al.

Inspection and maintenance are two crucial aspects of industrial pipeline plants. While robotics has made tremendous progress in the mechanic design of in-pipe inspection robots, the autonomous control of such robots is still a big open challenge due to the high number of actuators and the complex manoeuvres required. To address this problem, we investigate the usage of Deep Reinforcement Learning for achieving autonomous navigation of in-pipe robots in pipeline networks with complex topologies. Moreover, we introduce a hierarchical policy decomposition based on Hierarchical Reinforcement Learning to learn robust high-level navigation skills. We show that the hierarchical structure introduced in the policy is fundamental for solving the navigation task through pipes and necessary for achieving navigation performances superior to human-level control.

Nicolò Botteghi, Mannes Poel, Beril Sirmacek et al.

Deep Reinforcement Learning has shown its ability in solving complicated problems directly from high-dimensional observations. However, in end-to-end settings, Reinforcement Learning algorithms are not sample-efficient and requires long training times and quantities of data. In this work, we proposed a framework for sample-efficient Reinforcement Learning that take advantage of state and action representations to transform a high-dimensional problem into a low-dimensional one. Moreover, we seek to find the optimal policy mapping latent states to latent actions. Because now the policy is learned on abstract representations, we enforce, using auxiliary loss functions, the lifting of such policy to the original problem domain. Results show that the novel framework can efficiently learn low-dimensional and interpretable state and action representations and the optimal latent policy.

Nicolò Botteghi, Khaled Alaa, Mannes Poel et al.

Autonomous robots require high degrees of cognitive and motoric intelligence to come into our everyday life. In non-structured environments and in the presence of uncertainties, such degrees of intelligence are not easy to obtain. Reinforcement learning algorithms have proven to be capable of solving complicated robotics tasks in an end-to-end fashion without any need for hand-crafted features or policies. Especially in the context of robotics, in which the cost of real-world data is usually extremely high, reinforcement learning solutions achieving high sample efficiency are needed. In this paper, we propose a framework combining the learning of a low-dimensional state representation, from high-dimensional observations coming from the robot's raw sensory readings, with the learning of the optimal policy, given the learned state representation. We evaluate our framework in the context of mobile robot navigation in the case of continuous state and action spaces. Moreover, we study the problem of transferring what learned in the simulated virtual environment to the real robot without further retraining using real-world data in the presence of visual and depth distractors, such as lighting changes and moving obstacles.

Manu Kalia, Steven L. Brunton, Hil G. E. Meijer et al.

Complex systems manifest a small number of instabilities and bifurcations that are canonical in nature, resulting in universal pattern forming characteristics as a function of some parametric dependence. Such parametric instabilities are mathematically characterized by their universal un-foldings, or normal form dynamics, whereby a parsimonious model can be used to represent the dynamics. Although center manifold theory guarantees the existence of such low-dimensional normal forms, finding them has remained a long standing challenge. In this work, we introduce deep learning autoencoders to discover coordinate transformations that capture the underlying parametric dependence of a dynamical system in terms of its canonical normal form, allowing for a simple representation of the parametric dependence and bifurcation structure. The autoencoder constrains the latent variable to adhere to a given normal form, thus allowing it to learn the appropriate coordinate transformation. We demonstrate the method on a number of example problems, showing that it can capture a diverse set of normal forms associated with Hopf, pitchfork, transcritical and/or saddle node bifurcations. This method shows how normal forms can be leveraged as canonical and universal building blocks in deep learning approaches for model discovery and reduced-order modeling.

Nicolò Botteghi, Ruben Obbink, Daan Geijs et al.

Reinforcement Learning has been able to solve many complicated robotics tasks without any need for feature engineering in an end-to-end fashion. However, learning the optimal policy directly from the sensory inputs, i.e the observations, often requires processing and storage of a huge amount of data. In the context of robotics, the cost of data from real robotics hardware is usually very high, thus solutions that achieve high sample-efficiency are needed. We propose a method that aims at learning a mapping from the observations into a lower-dimensional state space. This mapping is learned with unsupervised learning using loss functions shaped to incorporate prior knowledge of the environment and the task. Using the samples from the state space, the optimal policy is quickly and efficiently learned. We test the method on several mobile robot navigation tasks in a simulation environment and also on a real robot.

Yoeri E. Boink, Christoph Brune

Our world is full of physics-driven data where effective mappings between data manifolds are desired. There is an increasing demand for understanding combined model-based and data-driven methods. We propose a nonlinear, learned singular value decomposition (L-SVD), which combines autoencoders that simultaneously learn and connect latent codes for desired signals and given measurements. We provide a convergence analysis for a specifically structured L-SVD that acts as a regularisation method. In a more general setting, we investigate the topic of model reduction via data dimensionality reduction to obtain a regularised inversion. We present a promising direction for solving inverse problems in cases where the underlying physics are not fully understood or have very complex behaviour. We show that the building blocks of learned inversion maps can be obtained automatically, with improved performance upon classical methods and better interpretability than black-box methods.

Leonie Zeune, Stephan A. van Gils, Leon W. M. M. Terstappen et al.

This paper focuses on multi-scale approaches for variational methods and corresponding gradient flows. Recently, for convex regularization functionals such as total variation, new theory and algorithms for nonlinear eigenvalue problems via nonlinear spectral decompositions have been developed. Those methods open new directions for advanced image filtering. However, for an effective use in image segmentation and shape decomposition, a clear interpretation of the spectral response regarding size and intensity scales is needed but lacking in current approaches. In this context, $L^1$ data fidelities are particularly helpful due to their interesting multi-scale properties such as contrast invariance. Hence, the novelty of this work is the combination of $L^1$-based multi-scale methods with nonlinear spectral decompositions. We compare $L^1$ with $L^2$ scale-space methods in view of spectral image representation and decomposition. We show that the contrast invariant multi-scale behavior of $L^1-TV$ promotes sparsity in the spectral response providing more informative decompositions. We provide a numerical method and analyze synthetic and biomedical images at which decomposition leads to improved segmentation.

Leonie Zeune, Guus van Dalum, Leon W. M. M. Terstappen et al.

In biomedical imaging reliable segmentation of objects (e.g. from small cells up to large organs) is of fundamental importance for automated medical diagnosis. New approaches for multi-scale segmentation can considerably improve performance in case of natural variations in intensity, size and shape. This paper aims at segmenting objects of interest based on shape contours and automatically finding multiple objects with different scales. The overall strategy of this work is to combine nonlinear segmentation with scales spaces and spectral decompositions recently introduced in literature. For this we generalize a variational segmentation model based on total variation using Bregman distances to construct an inverse scale space. This offers the new model to be accomplished by a scale analysis approach based on a spectral decomposition of the total variation. As a result we obtain a very efficient, (nearly) parameter-free multiscale segmentation method that comes with an adaptive regularization parameter choice. The added benefit of our method is demonstrated by systematic synthetic tests and its usage in a new biomedical toolbox for identifying and classifying circulating tumor cells. Due to the nature of nonlinear diffusion underlying, the mathematical concepts in this work offer promising extensions to nonlocal classification problems.

Braxton Osting, Christoph Brune, Stanley J. Osher

Given a graph where vertices represent alternatives and arcs represent pairwise comparison data, the statistical ranking problem is to find a potential function, defined on the vertices, such that the gradient of the potential function agrees with the pairwise comparisons. Our goal in this paper is to develop a method for collecting data for which the least squares estimator for the ranking problem has maximal Fisher information. Our approach, based on experimental design, is to view data collection as a bi-level optimization problem where the inner problem is the ranking problem and the outer problem is to identify data which maximizes the informativeness of the ranking. Under certain assumptions, the data collection problem decouples, reducing to a problem of finding multigraphs with large algebraic connectivity. This reduction of the data collection problem to graph-theoretic questions is one of the primary contributions of this work. As an application, we study the Yahoo! Movie user rating dataset and demonstrate that the addition of a small number of well-chosen pairwise comparisons can significantly increase the Fisher informativeness of the ranking. As another application, we study the 2011-12 NCAA football schedule and propose schedules with the same number of games which are significantly more informative. Using spectral clustering methods to identify highly-connected communities within the division, we argue that the NCAA could improve its notoriously poor rankings by simply scheduling more out-of-conference games.