arXiv subjects

Erik J. Bekkers

Publications and source records attributed to Erik J. Bekkers.

At least 19 recordsLinked to original sources

arXiv2026

Equivariant Eikonal Neural Networks: Grid-Free, Scalable Travel-Time Prediction on Homogeneous Spaces

We introduce Equivariant Neural Eikonal Solvers, a novel framework that integrates Equivariant Neural Fields (ENFs) with Neural Eikonal Solvers. Our approach employs a single neural field where a unified shared backbone is conditioned on signal-specific latent variables - represented as point clouds in a Lie group - to model diverse Eikonal solutions. The ENF integration ensures equivariant mapping from these latent representations to the solution field, delivering three key benefits: enhanced representation efficiency through weight-sharing, robust geometric grounding, and solution steerability. This steerability allows transformations applied to the latent point cloud to induce predictable, geometrically meaningful modifications in the resulting Eikonal solution. By coupling these steerable representations with Physics-Informed Neural Networks (PINNs), our framework accurately models Eikonal travel-time solutions while generalizing to arbitrary Riemannian manifolds with regular group actions. This includes homogeneous spaces such as Euclidean, position-orientation, spherical, and hyperbolic manifolds. We validate our approach through applications in seismic travel-time modeling of 2D, 3D, and spherical benchmark datasets. Experimental results demonstrate superior performance, scalability, adaptability, and user controllability compared to existing Neural Operator-based Eikonal solver methods.

cs.LG↗

arXiv2026

Platonic Transformers: A Solid Choice For Equivariance

While widespread, Transformers lack inductive biases for geometric symmetries common in science and computer vision. Existing equivariant methods often sacrifice the efficiency and flexibility that make Transformers so effective through complex, computationally intensive designs. We introduce the Platonic Transformer to resolve this trade-off. By defining attention relative to reference frames from the Platonic solid symmetry groups, our method induces a principled weight-sharing scheme. This enables combined equivariance to continuous translations and Platonic symmetries, while preserving the exact architecture and computational cost of a standard Transformer. Furthermore, we show that this attention is formally equivalent to a dynamic group convolution, which reveals that the model learns adaptive geometric filters and enables a highly scalable, linear-time convolutional variant. Across diverse benchmarks in computer vision (CIFAR-10), 3D point clouds (ScanObjectNN), and molecular property prediction (QM9, OMol25), the Platonic Transformer achieves competitive performance by leveraging these geometric constraints at no additional cost.

cs.CV↗

arXiv2026

Uncertainty-aware Machine Learning Interatomic Potentials via Learned Functional Perturbations

Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled uncertainty quantification (UQ) essential for error-aware simulations and active learning. Existing non-ensemble UQ methods for MLIPs rely either on variational inference or on parametric distributional assumptions, both of which add architectural complexity and hyper-parameters that must be tuned per task. Inspired by recent advances in probabilistic weather forecasting, we propose a simpler alternative: turn a deterministic MLIP into a probabilistic one through learned functional perturbations and finetune it end-to-end with the Continuous Ranked Probability Score (CRPS), a proper scoring rule. We validate the approach with an equivariant GNN (P-EGNN) trained from scratch and by finetuning the foundation model the Orb-v3 for silica. On the N-body charged particle benchmark, P-EGNN improves CRPS over the state-of-the-art Bayesian MLIP method BLIP by 19-32% across all training sizes; on silica, P-Orb raises the Spearman correlation between predicted uncertainty and actual error from 0.75 (BLIP-Orb) to 0.84.

cs.CE↗

arXiv2026

Kernel-Gradient Drifting Models

We propose kernel-gradient drifting, a one-step generative modeling framework that replaces the fixed Euclidean displacement direction in drifting models with directions induced by the kernel itself. Standard drifting is attractive because it enables fast, high-quality generation without distilling a large pretrained diffusion model, but its theory is currently understood mainly for Gaussian kernels, where the drift coincides with smoothed score matching and is identifiable. Our gradient-based reformulation exposes this score-based structure for general kernels: the resulting drift is the score difference between kernel-smoothed data and model distributions, yielding identifiability for characteristic kernels and a smoothed-KL descent interpretation of the drifting dynamics. Since kernel gradients are intrinsic tangent vectors, the same construction extends naturally to Riemannian manifolds and to discrete data via the Fisher-Rao geometry of the probability simplex. Across spherical geospatial data, promoter DNA and molecule generation, kernel-gradient drifting enables state-of-the-art one-step generation beyond the Euclidean setting without distillation.

cs.LG↗

arXiv2026

Riemannian Variational Flow Matching for Material and Protein Design

We present Riemannian Gaussian Variational Flow Matching (RG-VFM), a geometric extension of Variational Flow Matching (VFM) for generative modeling on manifolds. Motivated by the benefits of VFM, we derive a variational flow matching objective for manifolds with closed-form geodesics based on Riemannian Gaussian distributions. Crucially, in Euclidean space, predicting endpoints (VFM), velocities (FM), or noise (diffusion) is largely equivalent due to affine interpolations. However, on curved manifolds this equivalence breaks down. We formally analyze the relationship between our model and Riemannian Flow Matching (RFM), revealing that the RFM objective lacks a curvature-dependent penalty -- encoded via Jacobi fields -- that is naturally present in RG-VFM. Based on this relationship, we hypothesize that endpoint prediction provides a stronger learning signal by directly minimizing geodesic distances. Experiments on synthetic spherical and hyperbolic benchmarks, as well as real-world tasks in material and protein generation, demonstrate that RG-VFM more effectively captures manifold structure and improves downstream performance over Euclidean and velocity-based baselines. Code available at https://github.com/olgatticus/rg-vfm.

cs.LG↗

arXiv2026

Dual-Phase Cross-Modal Contrastive Learning for CMR-Guided ECG Representations for Cardiovascular Disease Assessment

Cardiac magnetic resonance imaging (CMR) offers detailed evaluation of cardiac structure and function, but its limited accessibility restricts use to selected patient populations. In contrast, the electrocardiogram (ECG) is ubiquitous and inexpensive, and provides rich information on cardiac electrical activity and rhythm, yet offers limited insight into underlying cardiac structure and mechanical function. To address this, we introduce a contrastive learning framework that improves the extraction of clinically relevant cardiac phenotypes from ECG by learning from paired ECG-CMR data. Our approach aligns ECG representations with 3D CMR volumes at end-diastole (ED) and end-systole (ES), with a dual-phase contrastive loss to anchor each ECG jointly with both cardiac phases in a shared latent space. Unlike prior methods limited to 2D CMR representations with or without a temporal component, our framework models 3D anatomy at both ED and ES phases as distinct latent representations, enabling flexible disentanglement of structural and functional cardiac properties. Using over 34,000 ECG-CMR pairs from the UK Biobank, we demonstrate improved extraction of image-derived phenotypes from ECG, particularly for functional parameters ($\uparrow$ 9.2\%), while improvements in clinical outcome prediction remained modest ($\uparrow$ 0.7\%). This strategy could enable scalable and cost-effective extraction of image-derived traits from ECG. The code for this research is publicly available.

eess.IV↗

arXiv2026

Synthesis of Late Gadolinium Enhancement Images via Implicit Neural Representations for Cardiac Scar Segmentation

Late gadolinium enhancement (LGE) imaging is the clinical standard for myocardial scar assessment, but limited annotated datasets hinder the development of automated segmentation methods. We propose a novel framework that synthesises both LGE images and their corresponding segmentation masks using implicit neural representations (INRs) combined with denoising diffusion models. Our approach first trains INRs to capture continuous spatial representations of LGE data and associated myocardium and fibrosis masks. These INRs are then compressed into compact latent embeddings, preserving essential anatomical information. A diffusion model operates on this latent space to generate new representations, which are decoded into synthetic LGE images with anatomically consistent segmentation masks. Experiments on 133 cardiac MRI scans suggest that augmenting training data with 200 synthetic volumes contributes to improved fibrosis segmentation performance, with the Dice score showing an increase from 0.509 to 0.524. Our approach provides an annotation-free method to help mitigate data scarcity.The code for this research is publicly available.

cs.CV↗

arXiv2025

Longitudinal Flow Matching for Trajectory Modeling

Generative models for sequential data often struggle with sparsely sampled and high-dimensional trajectories, typically reducing the learning of dynamics to pairwise transitions. We propose Interpolative Multi-Marginal Flow Matching (IMMFM), a framework that learns continuous stochastic dynamics jointly consistent with multiple observed time points. IMMFM employs a piecewise-quadratic interpolation path as a smooth target for flow matching and jointly optimizes drift and a data-driven diffusion coefficient, supported by a theoretical condition for stable learning. This design captures intrinsic stochasticity, handles irregular sparse sampling, and yields subject-specific trajectories. Experiments on synthetic benchmarks and real-world longitudinal neuroimaging datasets show that IMMFM outperforms existing methods in both forecasting accuracy and further downstream tasks.

cs.LG↗

arXiv2025

Orientation Scores should be a Piece of Cake

We axiomatically derive a family of wavelets for an orientation score, lifting from position space $\mathbb{R}^2$ to position and orientation space $\mathbb{R}^2\times S^1$, with fast reconstruction property, that minimise position-orientation uncertainty. We subsequently show that these minimum uncertainty states are well-approximated by cake wavelets: for standard parameters, the uncertainty gap of cake wavelets is less than 1.1, and in the limit, we prove the uncertainty gap tends to the minimum of 1. Next, we complete a previous theoretical argument that one does not have to train the lifting layer in (PDE-)G-CNNs, but can instead use cake wavelets. Finally, we show experimentally that in this way we can reduce the network complexity and improve the interpretability of (PDE-)G-CNNs, with only a slight impact on the model's performance.

math.DG↗

arXiv2025

On Equivariant Model Selection through the Lens of Uncertainty

Equivariant models leverage prior knowledge on symmetries to improve predictive performance, but misspecified architectural constraints can harm it instead. While work has explored learning or relaxing constraints, selecting among pretrained models with varying symmetry biases remains challenging. We examine this model selection task from an uncertainty-aware perspective, comparing frequentist (via Conformal Prediction), Bayesian (via the marginal likelihood), and calibration-based measures to naive error-based evaluation. We find that uncertainty metrics generally align with predictive performance, but Bayesian model evidence does so inconsistently. We attribute this to a mismatch in Bayesian and geometric notions of model complexity for the employed last-layer Laplace approximation, and discuss possible remedies. Our findings point towards the potential of uncertainty in guiding symmetry-aware model selection.

cs.LG↗

arXiv2025

CP$^2$: Leveraging Geometry for Conformal Prediction via Canonicalization

We study the problem of conformal prediction (CP) under geometric data shifts, where data samples are susceptible to transformations such as rotations or flips. While CP endows prediction models with post-hoc uncertainty quantification and formal coverage guarantees, their practicality breaks under distribution shifts that deteriorate model performance. To address this issue, we propose integrating geometric information--such as geometric pose--into the conformal procedure to reinstate its guarantees and ensure robustness under geometric shifts. In particular, we explore recent advancements on pose canonicalization as a suitable information extractor for this purpose. Evaluating the combined approach across discrete and continuous shifts and against equivariant and augmentation-based baselines, we find that integrating geometric information with CP yields a principled way to address geometric shifts while maintaining broad applicability to black-box predictors.

stat.ML↗

arXiv2025

Modeling Barrett's Esophagus Progression using Geometric Variational Autoencoders

Early detection of Barrett's Esophagus (BE), the only known precursor to Esophageal adenocarcinoma (EAC), is crucial for effectively preventing and treating esophageal cancer. In this work, we investigate the potential of geometric Variational Autoencoders (VAEs) to learn a meaningful latent representation that captures the progression of BE. We show that hyperspherical VAE (S-VAE) and Kendall Shape VAE show improved classification accuracy, reconstruction loss, and generative capacity. Additionally, we present a novel autoencoder architecture that can generate qualitative images without the need for a variational framework while retaining the benefits of an autoencoder, such as improved stability and reconstruction quality.

eess.IV↗

arXiv2025

Learning Symmetries via Weight-Sharing with Doubly Stochastic Tensors

Group equivariance has emerged as a valuable inductive bias in deep learning, enhancing generalization, data efficiency, and robustness. Classically, group equivariant methods require the groups of interest to be known beforehand, which may not be realistic for real-world data. Additionally, baking in fixed group equivariance may impose overly restrictive constraints on model architecture. This highlights the need for methods that can dynamically discover and apply symmetries as soft constraints. For neural network architectures, equivariance is commonly achieved through group transformations of a canonical weight tensor, resulting in weight sharing over a given group $G$. In this work, we propose to learn such a weight-sharing scheme by defining a collection of learnable doubly stochastic matrices that act as soft permutation matrices on canonical weight tensors, which can take regular group representations as a special case. This yields learnable kernel transformations that are jointly optimized with downstream tasks. We show that when the dataset exhibits strong symmetries, the permutation matrices will converge to regular group representations and our weight-sharing networks effectively become regular group convolutions. Additionally, the flexibility of the method enables it to effectively pick up on partial symmetries.

cs.LG↗

arXiv2025

HyperSteiner: Computing Heuristic Hyperbolic Steiner Minimal Trees

We propose HyperSteiner -- an efficient heuristic algorithm for computing Steiner minimal trees in the hyperbolic space. HyperSteiner extends the Euclidean Smith-Lee-Liebman algorithm, which is grounded in a divide-and-conquer approach involving the Delaunay triangulation. The central idea is rephrasing Steiner tree problems with three terminals as a system of equations in the Klein-Beltrami model. Motivated by the fact that hyperbolic geometry is well-suited for representing hierarchies, we explore applications to hierarchy discovery in data. Results show that HyperSteiner infers more realistic hierarchies than the Minimum Spanning Tree and is more scalable to large datasets than Neighbor Joining.

cs.CG↗

arXiv2024

The NGT200 Dataset: Geometric Multi-View Isolated Sign Recognition

Sign Language Processing (SLP) provides a foundation for a more inclusive future in language technology; however, the field faces several significant challenges that must be addressed to achieve practical, real-world applications. This work addresses multi-view isolated sign recognition (MV-ISR), and highlights the essential role of 3D awareness and geometry in SLP systems. We introduce the NGT200 dataset, a novel spatio-temporal multi-view benchmark, establishing MV-ISR as distinct from single-view ISR (SV-ISR). We demonstrate the benefits of synthetic data and propose conditioning sign representations on spatial symmetries inherent in sign language. Leveraging an SE(2) equivariant model improves MV-ISR performance by 8%-22% over the baseline.

cs.CV↗

arXiv2024

E(n) Equivariant Message Passing Cellular Networks

This paper introduces E(n) Equivariant Message Passing Cellular Networks (EMPCNs), an extension of E(n) Equivariant Graph Neural Networks to CW-complexes. Our approach addresses two aspects of geometric message passing networks: 1) enhancing their expressiveness by incorporating arbitrary cells, and 2) achieving this in a computationally efficient way with a decoupled EMPCNs technique. We demonstrate that EMPCNs achieve close to state-of-the-art performance on multiple tasks without the need for steerability, including many-body predictions and motion capture. Moreover, ablation studies confirm that decoupled EMPCNs exhibit stronger generalization capabilities than their non-topologically informed counterparts. These findings show that EMPCNs can be used as a scalable and expressive framework for higher-order message passing in geometric and topological graphs

cs.LG↗

arXiv2024

The Hidden Pitfalls of the Cosine Similarity Loss

We show that the gradient of the cosine similarity between two points goes to zero in two under-explored settings: (1) if a point has large magnitude or (2) if the points are on opposite ends of the latent space. Counterintuitively, we prove that optimizing the cosine similarity between points forces them to grow in magnitude. Thus, (1) is unavoidable in practice. We then observe that these derivations are extremely general -- they hold across deep learning architectures and for many of the standard self-supervised learning (SSL) loss functions. This leads us to propose cut-initialization: a simple change to network initialization that helps all studied SSL methods converge faster.

cs.LG↗

arXiv2024

Space-Time Continuous PDE Forecasting using Equivariant Neural Fields

Recently, Conditional Neural Fields (NeFs) have emerged as a powerful modelling paradigm for PDEs, by learning solutions as flows in the latent space of the Conditional NeF. Although benefiting from favourable properties of NeFs such as grid-agnosticity and space-time-continuous dynamics modelling, this approach limits the ability to impose known constraints of the PDE on the solutions -- e.g. symmetries or boundary conditions -- in favour of modelling flexibility. Instead, we propose a space-time continuous NeF-based solving framework that - by preserving geometric information in the latent space - respects known symmetries of the PDE. We show that modelling solutions as flows of pointclouds over the group of interest $G$ improves generalization and data-efficiency. We validated that our framework readily generalizes to unseen spatial and temporal locations, as well as geometric transformations of the initial conditions - where other NeF-based PDE forecasting methods fail - and improve over baselines in a number of challenging geometries.

cs.LG↗