arXiv subjects

Wojciech Samek

Publications and source records attributed to Wojciech Samek.

At least 37 records · Page 2Linked to original sources

arXiv2026

Modelpedia: A Catalog of Model Findings for the Meta-Science of AI

Scientific knowledge about AI models is produced faster than the community can organize it. Every few months a new foundation model reshapes the field and hundreds of papers, blogs, and technical reports document how each behaves or fails. Yet, these findings remain scattered and effectively unretrievable. To address this gap we present Modelpedia, an automated, LLM-assisted framework that extracts findings about models from published papers, links it to the model, dataset, method, and concept it concerns, and aggregates the result into a searchable public catalog. Applying the prototype to accepted ICLR 2024 and 2025 papers, we extract over a thousand findings and, treating the catalog itself as an object of study, run a meta-analysis of how the community investigates models. Now, we invite the community to explore, contribute to, and build on the open catalog, and to help establish model findings as a shared foundation for the meta-science of AI.

cs.LG↗

arXiv2026

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↗

arXiv2026

Chronos: The AI Co-Historian

AI is increasingly supporting, accelerating, and automating scientific discovery across subjects. Yet, the adoption of AI in historical research remains limited due to the lack of specialised solutions for historians. To change this, we introduce Chronos, an AI Co-Historian designed to support historians. It allows researchers to create and customize research workflows through natural-language interaction and share these as Chronos-Extensions with others. Chronos specifically addresses the need of historians for a tool that is specialised, non-technical, highly customizable, and facilitates extensive task evaluation. As a first extension, we introduce Chronos-Extract, which enables researchers to automate the targeted extraction of information from image scans of historical sources. We benchmark Chronos-Extract on three historical source corpora and find that it achieves high task-accuracy across primary sources spanning three centuries and diverse languages, layouts, and typefaces. Chronos is openly available and ready for historians to use on their own primary and secondary sources.

cs.AI↗

arXiv2026

A Privacy Study of Sparse Collaborative Inference

Collaborative inference (CI) splits a model between an edge device and a server, whereby the client computes an intermediate activation, transmits it, and the server completes the computation. This raises two concerns, the communication cost of the transmission and the risk that it reveals private information about the input. Recent work reduces this cost by sparsifying activations and entropy-coding the result. Sparsity has also been argued to improve privacy, on the intuition that transmitting fewer values reveals less about the input. We test this claim by decomposing the sparse activation into the retained values and the set of positions they occupy, and by reconstructing inputs from each component in isolation. We find that sparsification reduces the leakage far less than it reduces the transmission cost, and that the remaining risk shifts to the positions, which prior analyses treat as side information for decoding. Across natural-image and face datasets, the positions alone constitute a serious privacy risk, enabling high-fidelity reconstructions and re-identification of individuals. The leakage from the positions persists even when both the transmission cost and the task utility are low. We conclude that the positions of sparse activations should be treated as sensitive transmitted data and audited carefully in the context of collaborative inference. Code is available at https://github.com/an7123/Privacy-Study-Sparse-CI.

cs.LG↗

arXiv2026

Concept-based explanation of gene expression prediction from H&E images

Recent advances in pathology foundation models have enabled accurate prediction of spatial transcriptomics (ST) from routine H&E images. However, existing explainability methods for vision transformer (ViT)-based models are largely limited to local heatmaps and do not reveal how morphological concepts contribute to ST predictions. Here, we introduce an explainable framework that combines relevance propagation and concept discovery to link transcriptional programs to tissue morphology. We developed a ViT-based framework for virtual ST from H&E images that combines ViT-aware layer-wise relevance propagation with relaxed archetypal TopK sparse autoencoder-based concept discovery. This approach provides both local explanations and global insights into the morphological patterns associated with transcriptional programs. We applied the framework to colorectal cancer ST data from the HEST-1k cohort and evaluated its generalizability in TCGA COAD. Our architecture accurately predicts clinically relevant ST signatures and accompanying molecular phenotypes. Measured and predicted gene expression profiles reveal substantial spatial heterogeneity of the colorectal cancer subtypes iCMS2 and iCMS3 across a large number of samples. Spatially resolved and aggregated iCMS classification achieve weighted F1 scores of 0.872 and 0.819 (0.770 in TCGA COAD), respectively, and both stratify patient outcome. Beyond prediction, our framework establishes a relevance-based concept atlas linking molecular phenotypes to histopathological representations. Comparison of activation- with relevance-derived concepts demonstrates that relevances provide a more direct link between tissue morphology and downstream predictions. We establish a general strategy for concept-based explanation of spatial prediction, and our framework is readily applicable to a broad range of ViT-based pathology models.

cs.CV↗

arXiv2026

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↗

arXiv2026

Collaborative Synthetic Data Generation for Knowledge Transfer in Federated Learning

One-shot federated learning (OSFL) addresses the communication overhead of federated learning by limiting training to a single round, but doing so without sacrificing model quality is non-trivial, particularly when client data distributions diverge. Recent work has addressed this challenge by aggregating client knowledge on the server through the construction of transferable synthetic datasets or distillates. However, most of these methods lack formal privacy guarantees, leaving a gap in jointly achieving low communication, robustness to heterogeneity, and rigorous privacy. We propose FedKT-CSD (Federated Knowledge Transfer via Collaborative Synthetic Data), a framework inspired by neural image compression that closes this gap by leveraging publicly pretrained autoencoders as a shared latent space. Each client encodes its private data in a single forward pass, computes class-conditional latent statistics, and transmits these to the server. The server aggregates these statistics via secure aggregation, adds calibrated differential privacy noise, and decodes a synthetic dataset for training a global model and further downstream tasks. This design provides formal $(\varepsilon,δ)$-differential privacy by construction, while keeping client-side computation and communication lightweight. Despite operating under privacy constraints, FedKT-CSD is competitive with and even outperforms non-private baselines across diverse datasets and heterogeneity settings, and scales to a large number of clients. Our code is available at: https://github.com/an7123/FedKT-CSD

cs.LG↗

arXiv2026

FedXDS: Leveraging Model Attribution Methods to counteract Data Heterogeneity in Federated Learning

Explainable AI (XAI) methods have demonstrated significant success in recent years at identifying relevant features in input data that drive deep learning model decisions, enhancing interpretability for users. However, the potential of XAI beyond providing model transparency has remained largely unexplored in adjacent machine learning domains. In this paper, we show for the first time how XAI can be utilized in the context of federated learning. Specifically, while federated learning enables collaborative model training without raw data sharing, it suffers from performance degradation when client data distributions exhibit statistical heterogeneity. We introduce FedXDS (Federated Learning via XAI-guided Data Sharing), the first approach to utilize feature attribution techniques to identify precisely which data elements should be selectively shared between clients to mitigate heterogeneity. By employing propagation-based attribution, our method identifies task-relevant features through a single backward pass, enabling selective data sharing that aligns client contributions. To protect sensitive information, we incorporate metric privacy techniques that provide formal privacy guarantees while preserving utility. Experimental results demonstrate that our approach consistently achieves higher accuracy and faster convergence compared to existing methods across varying client numbers and heterogeneity settings. We provide theoretical privacy guarantees and empirically demonstrate robustness against both membership inference and feature inversion attacks. Code is available at https://github.com/MaxH1996/FedXDS.

cs.LG↗

arXiv2026

LieSolver: PDE-Constrained Learning for IBVPs via Lie Symmetries

Initial-boundary value problems (IBVPs) provide the essential framework for modelling a wide range of phenomena in physics and engineering. We introduce a novel method for efficiently solving IBVPs using Lie symmetries to enforce the associated partial differential equation (PDE) exactly by construction. By leveraging symmetry transformations, our model embeds the underlying physical laws and learns the solution solely from initial and boundary data. Consequently, the boundary loss directly quantifies domain-wide error, enabling rigorous error estimation for well-posed IBVPs. We implement LieSolver and demonstrate its application to linear homogeneous PDEs, showing that it outperforms physics-informed neural networks (PINNs) in both speed and accuracy while yielding compact models. Overall, our approach significantly enhances the efficiency and reliability of predictions for PDE-constrained problems.

cs.LG↗

arXiv2026

Predicting Future Behaviors in Reasoning Models Enables Better Steering

Deployed large reasoning models (LRMs) often behave unexpectedly. Test-time steering controls LRM outputs by intervening on their hidden representations, but it can degrade output quality. We argue that prior steering work implicitly relies on internal features that detect behavior in already generated text. We show that these detection features are poor predictors of future behavioral outcomes, and thus not the natural intervention target. Instead, we train activation probes to predict future behavior likelihoods from intermediate reasoning steps. These probes predict the most likely behavior with 64%-91% accuracy, revealing a separate type of internal prediction features. Building on these prediction features, we introduce a text-level steering method, Future Probe Controlled Generation. FPCG samples multiple candidate sentences and chooses the best one according to a probe predicting the future behavior likelihood. This enables steering with almost no output quality degradation. FPCG also enables steering in several evaluations where activation steering fails. These results show that distinguishing detection and prediction features enables a more nuanced approach to controlling LRM behaviors.

cs.LG↗

arXiv2026

Fast & Faithful Function Vectors

Function vectors (FVs) are task representations elicited during in-context learning that can be used to steer Large Language Models (LLMs). However, design choices in their formulation remain underexplored. In this work, we study the impact of varying FV definitions for instructions along two degrees of freedom: attention head selection and steering. For head selection, using gradient-based attributions with Layer-wise Relevance Propagation (LRP) substantially improves efficiency as well as accuracy. For FV steering, applying it in a distributed manner yields a higher accuracy compared to simple aggregation. Our code is publicly available.

cs.CL↗

arXiv2026

PINNfluence: Interpreting PINNs through Influence Functions

Physics-informed neural networks (PINNs) have emerged as a powerful deep learning approach for solving partial differential equations (PDEs) in the physical sciences, yet their behavior remains largely opaque and is typically understood through failure mode analyses rather than explicit interpretability. To address this issue, we introduce PINNfluence, a training data attribution framework for interpreting PINNs based on influence functions. By extending influence functions to composite physics-informed training objectives, we enable fine-grained attribution between predictions, loss components, and training data points. Through benchmark experiments across various PDEs, we demonstrate that influence patterns provide granular diagnostics that distinguish structural characteristics across well-trained and poorly-trained PINNs. PINNfluence thus opens a new avenue for understanding and improving the reliability of PINNs through the lens of their data.

cs.LG↗

arXiv2026

The Case for Model Science: Verify, Explore, Steer, Refine

We argue that the AI community is now ready to move beyond benchmarking and consolidate scattered efforts in model analysis into a systematic discipline, a direction we term Model Science. Complex AI models now serve billions of users, yet our understanding of how they work lags far behind our ability to deploy them. Decades of benchmark-driven research have delivered remarkable progress: extensive leaderboards, a wide range of performance metrics, tracking capability gains across diverse tasks; yet this success has also revealed the limits of benchmarks as they tell us whether models perform but not why they succeed or fail, they miss critical failure modes, such as hallucinations or shortcuts. Precedents from established sciences point the way forward: cognitive science shows that understanding complex systems requires complementary levels of analysis; neuroscience demonstrates that deep study of single cases reveals what population studies miss; medicine teaches that specialised training must develop alongside research practice; and agriculture models how shared infrastructure and principles enable cumulative progress. These lessons inform three foundations for Model Science. First, we propose to consolidate research around four functional perspectives: Verify, Explore, Steer, and Refine that address complementary questions about model behaviour. Second, we discuss the required infrastructure for cumulative knowledge: catalogues of datasets, models and findings. Third, we highlight the need for deep analysis of individual model instances, not just model families, because single cases can reveal what population studies miss.

cs.AI↗

arXiv2026

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↗

arXiv2026

From Attribution to Action: A Human-Centered Application of Activation Steering

Explainable AI (XAI) methods reveal which features influence model predictions, yet provide limited means for practitioners to act on these explanations. Activation steering of components identified via XAI offers a path toward actionable explanations, although its practical utility remains understudied. We introduce an interactive workflow combining SAE-based attribution with activation steering for instance-level analysis of concept usage in vision models, implemented as a web-based tool. Based on this workflow, we conduct semi-structured expert interviews (N=8) with debugging tasks on CLIP to investigate how practitioners reason about, trust, and apply activation steering. We find that steering enables a shift from inspection to intervention-based hypothesis testing (8/8 participants), with most grounding trust in observed model responses rather than explanation plausibility alone (6/8). Participants adopted systematic debugging strategies dominated by component suppression (7/8) and highlighted risks including ripple effects and limited generalization of instance-level corrections. Overall, activation steering renders interpretability more actionable while raising important considerations for safe and effective use.

cs.AI↗

arXiv2026

Attribution-Guided Pruning for Insight and Control: Circuit Discovery and Targeted Correction in Small-scale LLMs

Large Language Models (LLMs) are widely deployed in real-world applications, yet their internal mechanisms remain difficult to interpret and control, limiting our ability to diagnose and correct undesirable behaviors. Mechanistic interpretability addresses this challenge by identifying circuits -- subsets of model components responsible for specific behaviors. However, discovering such circuits in LLMs remains difficult due to their scale and complexity. We frame circuit discovery as identifying parameters that contribute most to model outputs on task-specific inputs, and use Layer-wise Relevance Propagation (LRP) with reference samples to attribute and extract these components via pruning. Building on this, we introduce contrastive relevance to isolate circuits associated with undesired behaviors while preserving general capabilities, enabling targeted model correction. On OPT-125M, we show that pruning as little as ~0.3% of neurons substantially reduces toxic outputs, while pruning approximately 0.03% of weight elements mitigates repetitive text generation without degrading general performance. These results establish attribution-guided pruning as an effective mechanism for identifying and intervening on behavior-specific circuits in LLMs. We further validate our findings on additional small-scale language models, demonstrating that the proposed approach transfers across architectures. Our code is publicly available at https://github.com/erfanhatefi/SparC3.

cs.LG↗

arXiv2026

Knowledge-Free Correlated Agreement for Incentivizing Federated Learning

We introduce Knowledge-Free Correlated Agreement (KFCA) to reward client contributions in federated learning (FL) without relying on ground truth, a public test set, or distribution knowledge. Under categorical reports and an honest majority, KFCA is strictly truthful, addressing the label-flipping vulnerability of Correlated Agreement (CA). We evaluate KFCA on federated LLM adapter tuning and a real-world PCB inspection task, showing efficient real-time reward computation suitable for decentralized and blockchain-based incentive designs.

cs.LG↗

arXiv2026

Contrastive Semantic Projection: Faithful Neuron Labeling with Contrastive Examples

Neuron labeling assigns textual descriptions to internal units of deep networks. Existing approaches typically rely on highly activating examples, often yielding broad or misleading labels by focusing on dominant but incidental visual factors. Prior work such as FALCON introduced contrastive examples -- inputs that are semantically similar to activating examples but elicit low activations -- to sharpen explanations, but it primarily addresses subspace-level interpretability rather than scalable neuron-level labeling. We revisit contrastive explanations for neuron-level labeling in two stages: (1) candidate label generation with vision language models (VLMs) and (2) label assignment with CLIP-like encoders. First, we show that providing contrastive image sets to VLMs yields candidate labels that are more specific and more faithful. Second, we introduce Contrastive Semantic Projection (CSP), an extension of SemanticLens that incorporates contrastive examples directly into its CLIP-based scoring and selection pipeline. Across extensive experiments and a case study on melanoma detection, contrastive labeling improves both faithfulness and semantic granularity over state-of-the-art baselines. Our results demonstrate that contrastive examples are a simple yet powerful and currently underutilized component of neuron labeling and analysis pipelines.

cs.CV↗