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Simon Baur

Publications and source records attributed to Simon Baur.

11 recordsLinked to original sources

Uncertainty-Aware End-to-End AI Weather Forecasting: Disentangling Observation and Model Contributions

End-to-end weather forecasting systems produce skillful global gridded and station forecasts directly from raw Earth observations, replacing the numerical weather prediction pipeline, including data assimilation, at a fraction of its cost. These systems are deterministic and issue no uncertainty. Here we render the Aardvark Weather model probabilistic by attaching one stochastic mechanism to each component: learned, input-dependent noise at the observation encoder, capturing aleatoric uncertainty inherited from the observing system, and Monte Carlo dropout in the processor, capturing epistemic uncertainty in the learned dynamics. The resulting nested ensemble attributes forecast spread to the two sources through a law-of-total-variance decomposition, cross-checked by withholding observation streams. Probabilistic finetuning significantly improves the mean forecast, by 4.2% on average across variables and lead times. The ensemble is calibrated against ERA5 through the medium range (spread-skill ratio 0.98), keeps station RMSE within 2.4% of the deterministic model while beating it in CRPS at every lead time, and trails the operational ECMWF ensemble. The encoder branch behaves as observation-driven uncertainty. Component-attributed uncertainty makes end-to-end forecasts more transparent, a step toward observation-driven digital twins of the atmosphere.

physics.ao-ph

Beyond Boundary Noise: Aggregated Aleatoric Uncertainty Fails to Capture Presence Ambiguity in 3D Lung Nodule Segmentation

Uncertainty estimation is critical for the safe clinical deployment of deep learning in medical image segmentation, with aleatoric uncertainty theoretically designed to capture irreducible data ambiguity. However, whether entropy-based measures reflect clinically meaningful ambiguity, i.e. case-level disagreement about whether a pathology is present at all, remains poorly understood. Contrary to most prior work, which focused on pixel-wise boundary disagreement, we systematically evaluate how well aleatoric uncertainty captures presence ambiguity. Our evaluation spans 3D lung nodule segmentation across four architectures with Monte Carlo dropout and deep ensembles, on LIDC-IDRI and an external validation cohort (LNDb). We find that entropy-based uncertainty maps align with boundary noise and minor drawing variation but carry insufficient discriminative signal for presence ambiguity. In contrast, a lightweight supervised ambiguity head trained on frozen segmentation features substantially outperforms all entropy-aggregation-based baselines across architectures, metrics, and both cohorts, and matches or exceeds methods that explicitly model ambiguity under disagreement supervision (Probabilistic U-Net, Annotator-Confusion 3D-UNet). A qualitative feature-space analysis shows that presence ambiguity is already encoded in the frozen encoder features of pixel-wise-trained networks, only to be discarded by the segmentation output and its entropy aggregation. Our findings expose a fundamental mismatch between the theoretical promise of aleatoric uncertainty and its practical behavior, and suggest that practitioners should not rely on entropy-based uncertainty as a proxy for clinical ambiguity in safety-critical applications.

cs.CV

MADE: A Living Benchmark for Multi-Label Text Classification with Uncertainty Quantification of Medical Device Adverse Events

Machine learning in high-stakes domains such as healthcare requires not only strong predictive performance but also reliable uncertainty quantification (UQ) to support human oversight. Multi-label text classification (MLTC) is a central task in this domain, yet remains challenging due to label imbalances, dependencies, and combinatorial complexity. Existing MLTC benchmarks are increasingly saturated and may be affected by training data contamination, making it difficult to distinguish genuine reasoning capabilities from memorization. We introduce MADE, a living MLTC benchmark derived from {m}edical device {ad}verse {e}vent reports and continuously updated with newly published reports to prevent contamination. MADE features a long-tailed distribution of hierarchical labels and enables reproducible evaluation with strict temporal splits. We establish baselines across more than 20 encoder- and decoder-only models under fine-tuning and few-shot settings (instruction-tuned/reasoning variants, local/API-accessible). We systematically assess entropy-/consistency-based and self-verbalized UQ methods. Results show clear trade-offs: smaller discriminatively fine-tuned decoders achieve the strongest head-to-tail accuracy while maintaining competitive UQ; generative fine-tuning delivers the most reliable UQ; large reasoning models improve performance on rare labels yet exhibit surprisingly weak UQ; and self-verbalized confidence is not a reliable proxy for uncertainty. Our work is publicly available at https://hhi.fraunhofer.de/aml-demonstrator/made-benchmark.

cs.CL

Multimodal Deep Learning for Prediction of Progression-Free Survival in Patients with Neuroendocrine Tumors Undergoing 177Lu-based Peptide Receptor Radionuclide Therapy

Peptide receptor radionuclide therapy (PRRT) is an established treatment for metastatic neuroendocrine tumors (NETs), yet long-term disease control occurs only in a subset of patients. Predicting progression-free survival (PFS) could support individualized treatment planning. This study evaluates laboratory, imaging, and multimodal deep learning models for PFS prediction in PRRT-treated patients. In this retrospective, single-center study 116 patients with metastatic NETs undergoing 177Lu-DOTATOC were included. Clinical characteristics, laboratory values, and pretherapeutic somatostatin receptor positron emission tomography/computed tomographies (SR-PET/CT) were collected. Seven models were trained to classify low- vs. high-PFS groups, including unimodal (laboratory, SR-PET, or CT) and multimodal fusion approaches. Explainability was evaluated by feature importance analysis and gradient maps. Forty-two patients (36%) had short PFS (< 1 year), 74 patients long PFS (>1 year). Groups were similar in most characteristics, except for higher baseline chromogranin A (p = 0.003), elevated gamma-GT (p = 0.002), and fewer PRRT cycles (p < 0.001) in short-PFS patients. The Random Forest model trained only on laboratory biomarkers reached an AUROC of 0.59 +- 0.02. Unimodal three-dimensional convolutional neural networks using SR-PET or CT performed worse (AUROC 0.42 +- 0.03 and 0.54 +- 0.01, respectively). A multimodal fusion model laboratory values, SR-PET, and CT -augmented with a pretrained CT branch - achieved the best results (AUROC 0.72 +- 0.01, AUPRC 0.80 +- 0.01). Multimodal deep learning combining SR-PET, CT, and laboratory biomarkers outperformed unimodal approaches for PFS prediction after PRRT. Upon external validation, such models may support risk-adapted follow-up strategies.

cs.LG

Benchmarking Uncertainty and its Disentanglement in multi-label Chest X-Ray Classification

Reliable uncertainty quantification is crucial for trustworthy decision-making and the deployment of AI models in medical imaging. While prior work has explored the ability of neural networks to quantify predictive, epistemic, and aleatoric uncertainties using an information-theoretical approach in synthetic or well defined data settings like natural image classification, its applicability to real life medical diagnosis tasks remains underexplored. In this study, we provide an extensive uncertainty quantification benchmark for multi-label chest X-ray classification using the MIMIC-CXR-JPG dataset. We evaluate 13 uncertainty quantification methods for convolutional (ResNet) and transformer-based (Vision Transformer) architectures across a wide range of tasks. Additionally, we extend Evidential Deep Learning, HetClass NNs, and Deep Deterministic Uncertainty to the multi-label setting. Our analysis provides insights into uncertainty estimation effectiveness and the ability to disentangle epistemic and aleatoric uncertainties, revealing method- and architecture-specific strengths and limitations.

stat.ML

On the effectiveness of multimodal privileged knowledge distillation in two vision transformer based diagnostic applications

Deploying deep learning models in clinical practice often requires leveraging multiple data modalities, such as images, text, and structured data, to achieve robust and trustworthy decisions. However, not all modalities are always available at inference time. In this work, we propose multimodal privileged knowledge distillation (MMPKD), a training strategy that utilizes additional modalities available solely during training to guide a unimodal vision model. Specifically, we used a text-based teacher model for chest radiographs (MIMIC-CXR) and a tabular metadata-based teacher model for mammography (CBIS-DDSM) to distill knowledge into a vision transformer student model. We show that MMPKD can improve the resulting attention maps' zero-shot capabilities of localizing ROI in input images, while this effect does not generalize across domains, as contrarily suggested by prior research.

cs.CV

Synthetic Generation of Dermatoscopic Images with GAN and Closed-Form Factorization

In the realm of dermatological diagnoses, where the analysis of dermatoscopic and microscopic skin lesion images is pivotal for the accurate and early detection of various medical conditions, the costs associated with creating diverse and high-quality annotated datasets have hampered the accuracy and generalizability of machine learning models. We propose an innovative unsupervised augmentation solution that harnesses Generative Adversarial Network (GAN) based models and associated techniques over their latent space to generate controlled semiautomatically-discovered semantic variations in dermatoscopic images. We created synthetic images to incorporate the semantic variations and augmented the training data with these images. With this approach, we were able to increase the performance of machine learning models and set a new benchmark amongst non-ensemble based models in skin lesion classification on the HAM10000 dataset; and used the observed analytics and generated models for detailed studies on model explainability, affirming the effectiveness of our solution.

cs.CV

Single-Photon Transistor Using a Förster Resonance

An all-optical transistor is a device in which a gate light pulse switches the transmission of a target light pulse with a gain above unity. The gain quantifies the change of the transmitted target photon number per incoming gate photon. We study the quantum limit of one incoming gate photon and observe a gain of 20. The gate pulse is stored as a Rydberg excitation in an ultracold gas. The transmission of the subsequent target pulse is suppressed by Rydberg blockade which is enhanced by a Förster resonance. The detected target photons reveal in a single shot with a fidelity above 0.86 whether a Rydberg excitation was created during the gate pulse. The gain offers the possibility to distribute the transistor output to the inputs of many transistors, thus making complex computational tasks possible.

quant-ph

Single-Photon Switch based on Rydberg Blockade

All-optical switching is a technique in which a gate light pulse changes the transmission of a target light pulse without the detour via electronic signal processing. We take this to the quantum regime, where the incoming gate light pulse contains only one photon on average. The gate pulse is stored as a Rydberg excitation in an ultracold atomic gas using electromagnetically induced transparency. Rydberg blockade suppresses the transmission of the subsequent target pulse. Finally, the stored gate photon can be retrieved. A retrieved photon heralds successful storage. The corresponding postselected subensemble shows an extinction of 0.05. The single-photon switch offers many interesting perspectives ranging from quantum communication to quantum information processing.

quant-ph

Coherent Logic Gate for Light Pulses based on Storage in a Bose-Einstein Condensate

A classical logic gate connecting input and output light pulses is demonstrated. The gate operation is based on three steps: First, two incoming light pulses are stored in a Bose-Einstein condensate, second, atomic four-wave mixing generates a new matter wave, and third, the light pulses are retrieved. In the presence of the new matter wave, the retrieval generates a new optical wave. The latter will only be generated if both input light pulses are applied, thus realizing an AND gate. Finally, we show that the gate operation is phase coherent, an essential prerequisite for a quantum logic gate.

quant-ph

Bose-Einstein condensate as a quantum memory for a photonic polarization qubit

A scheme based on electromagnetically induced transparency is used to store light in a Bose-Einstein condensate. In this process, a photonic polarization qubit is stored in atomic Zeeman states. The performance of the storage process is characterized and optimized. The average process fidelity is 1.000 +/- 0.004. For long storage times, temporal fluctuations of the magnetic field reduce this value, yielding a lifetime of the fidelity of 1.1 +/- 0.2 ms. The write-read efficiency of the pulse energy can reach 0.53 +/- 0.05.

quant-ph