Machine Learning
Fuzzy Accuracy Compensates for Label Subjectivity in Classification of Skin Tone Using Wearable Photoplethysmography Signals
Padmini Krishnadas, Urs Hackstein, Alen Bosnjakovic et al. (+1 more)
We consider the problem of classification of skin tone using photoplethysmography (PPG) signals with labels of the ordinal six-class Fitzpatrick skin tones. A typical accuracy for this task is a poor 40-55 %. However, the labels are subjectively determined by comparing the skin with a colour chart, and hence contain widespread small-scale inaccuracies. By working with a "fuzzy accuracy", which deems a prediction of skin tone class to be correct if its difference from the labelled class is not greater than one, much higher accuracy is obtained which provides more convincing evidence that skin tone can be accurately predicted from PPG signals. Three machine learning approaches were used, namely deep learning or tree-based approaches on raw PPG signals, deep learning on image representations of the signals generated by the Symmetric Projection Attractor Reconstruction (SPAR) method, and machine learning on features extracted from the signals. The first method also employed a fuzzy version of the cross
entropy loss function, which gave the best results. Tree-based models on raw signals give accuracies up to 55 % and higher fuzzy accuracies up to 96 %, while deep learning models on the SPAR images obtained lower results of 44 % accuracy and 85 % fuzzy accuracy. The machine learning on PPG features gave similar results to the SPAR method with accuracy of 42 % and fuzzy accuracy of 87 %. We have shown that classification of skin tone using PPG signals is possible with high fuzzy accuracy which implies that our modelling approach enables accurate prediction of skin tone class within at most one class of the observer's choice of class, from which we conclude that PPG signals are affected by skin tone in a discernible way.
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All authors Padmini Krishnadas, Urs Hackstein, Alen Bosnjakovic, Philip J. Aston
Machine Learning
Training Chemical Plausibility-Aware Large Language Models for Single-Step Retrosynthesis
Bogdan Zagribelnyy, Ivan Ilin, Nikita Bondarev et al. (+5 more)
Single-step retrosynthesis is a central component of computer-aided synthesis planning, yet its intrinsically one-to-many nature is poorly captured by single-answer evaluation and benchmarking protocols. To address this, we introduce Top-K prompting as a robust training and inference paradigm to better capture diverse, plausible reaction predictions. We compile CREED-CCV-2+USPTO-XL, an ultra-large-scale
dataset of ~45.6 million verified reactions to train the C3LM (Chemistry Constraint-Consistent
Language Model). By integrating fine-tuning with ChemCensor-based and novelty-oriented rewards, our model achieves state-of-the-art performance on the OOD URSA-expert-2026
benchmark. Further analysis of reaction uniqueness shows that LLMs and conventional models explore complementary reaction spaces, motivating ensemble-based retrosynthesis systems. Overall, our results establish Top-K, plausibility-aware training as a practical new direction for robust future LLM-based synthesis planning.
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All authors Bogdan Zagribelnyy, Ivan Ilin, Nikita Bondarev, Maksim Kuznetsov, Mathieu Reymond, Vladimir Aladinskiy, Alex Aliper, Alex Zhavoronkov
Machine Learning · Cross-listed from cs.AI
Breaking the weakest link to evade vision language models
Ilan Zini, Boussad Addad and Katarzyna Kapusta
Vision Language Models (VLMs) have recently emerged as a critical component of
multimodal AI systems, enabling joint
reasoning over visual and textual inputs in real-world and safety-critical applications. Despite their growing deployment, the robustness of VLMs against
adversarial threats remains insufficiently explored, particularly in the context of evasion attacks targeting
multimodal alignment. In this work, we investigate the vulnerability of VLMs to
adversarial perturbations applied to visual inputs and study two attack settings: untargeted attacks, where the goal is to disrupt the model's interpretation of the original image, and targeted attacks, where the adversary aims to force the model to generate a specific semantic description unrelated to the original image. To efficiently generate
adversarial examples, we propose a gradient-based attack method that performs optimization exclusively on the
vision encoder of the VLM rather than on the entire
multimodal architecture. This design significantly reduces the computational cost and resource requirements of the attack while maintaining strong effectiveness. We evaluate our approach on several open-source VLMs, including Qwen2.5-VL, Granite-
Vision, FastVLM, and Phi-3.5-
Vision, and show that small, human-imperceptible perturbations can substantially alter the textual interpretation produced by the models. Our findings highlight the vulnerability of modern VLMs to
adversarial manipulation and emphasize the need for improved robustness and security mechanisms in
multimodal AI systems.
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Machine Learning
Graphical Design of Interpretable Architectures
Pietro Barbiero
Designing, implementing, and comparing interpretable architectures requires a formal
language to represent them. The most common representations fall short in one of two ways. Symbolic equations give no global view of an architecture at a glance. Probabilistic graphical models and flowcharts do not describe actual tensor manipulations, thus hiding key insights and limiting reproducibility. To close this gap, we introduce a graphical notation for designing interpretable AI architectures, adapted from Penrose tensor notation. This graphical notation gives a global view of an architecture and maps one to one onto PyTorch einsum code. We first use this notation to describe architectures that are interpretable by construction, including concept bottlenecks, sparse probes, prototype networks, neural additive models, and mixtures of linear models. We then diagram the key architectural components of Steerling-8B, a frontier interpretable
language model. The diagram yields global insights into the architecture (e.g., showing that Steerling is a residual model), a
geometric interpretation of each individual operation, and a direct translation into 33 lines of PyTorch code.
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Machine Learning
Transportable Causal Effect Estimation across Networks under Interference
Xiaojing Du, Jiuyong Li, Lin Liu et al. (+3 more)
Estimating causal effects under network interference typically assumes that the network used for training and the network used for deployment coincide. In practice, an intervention is run on one population while the question of interest concerns a different population, and the two generally differ in
topology, node-
covariate composition, and spillover pathways. Transporting a causal effect across networks is therefore a data-fusion problem that no existing
algorithm solves. We employ a selection diagram, extended to the network setting so that
covariate shift and structural network shift enter as separate selectors, and derive from it a transport formula for the direct, spillover, and total effects in the deployment population. Each formula makes explicit which interventional mechanism is assumed invariant and which observational distribution must be reweighted. We then turn the formulas into TranCE (Transported Causal Effects), a doubly-robust
algorithm combining an interventional outcome model, a domain density-ratio correction, and cross-fitted inference. Extensive experiments on two semi-synthetic
benchmarks derived from real-world social networks and on a fully real weather-insurance field experiment, where the transported effects are checked against held-out randomized estimates, confirm the effectiveness of our approach. Our findings have the potential to improve intervention strategies in networked systems, particularly in social networks and public health.
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All authors Xiaojing Du, Jiuyong Li, Lin Liu, Debo Cheng, Jixue Liu, Thuc Duy Le
Machine Learning
Lost in Aggregation: How Benchmarks Overlook Irreplaceable Model Strengths
Andrej Tschalzev, Stefan Lüdtke, Heiner Stuckenschmidt et al. (+1 more)
Tabular machine learning
benchmarks typically summarize performance by averaging scores, ranks, or pairwise wins across
datasets. Such aggregates are useful for selecting robust default models, but they can obscure a different question: which models are necessary to attain peak performance on particular
datasets? We argue that
benchmark evaluation should also consider the data-centric peak performance frontier, defined by the best statistically supported performance achieved on each
dataset. From this perspective, a model may be irreplaceable, sufficient, redundant, or fallible depending on where it lies on the frontier relative to other models. Applying this framework to the TabArena
benchmark, we find that common aggregation metrics are highly correlated and largely measure consistency and avoiding failures, while being much less aligned with
dataset-level irreplaceability. Consequently, models performing decently across
datasets without ever being the best choice are rewarded while models with unique
dataset-specific strengths appear mediocre under aggregation. Hence,
benchmark progress should be measured not only by improvements on aggregation metrics but also by whether new models expand the set of attainable peak performances across
datasets.
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All authors Andrej Tschalzev, Stefan Lüdtke, Heiner Stuckenschmidt, Christian Bartelt
Machine Learning
Score the Algebra, Not the Span: Dimension Reduction for Transfer Operator Models of Dynamical Systems
Mark Kozdoba and Shie Mannor
Dimension reduction for dynamical systems is standard practice, and the standard route is spectral: model the transfer (Koopman) operator by its leading modes. We show that on systems assembled from several weakly interacting components — a structure common in physical and biological settings — this may either require an exponential number of modes, or drop an entire component: the component is absent from the model rather than modeled coarsely, and no function of it can be predicted at any accuracy. We call this linear masking. The cause is that a rank-based model pays one coordinate per mode. We propose to score instead the $\sigma$-
algebra the coordinates generate, so that products and powers come free and a component's cost is governed only by its generators rather than by all its interactions. The criterion is a $\chi^2$-divergence between the embedded present and future, and it carries a budget guarantee: twice the intrinsic dimension of the dynamics is enough coordinates for an
embedding whose
algebra carries the operator's entire spectrum, with its full infinite rank. In variational form the criterion admits off-the-shelf
estimators, and restricting its critic to the bilinear class returns the VAMP score on the span, so rank-based methods are one end of the same family. We demonstrate the proposed objective on a composite of published
benchmark systems. We exhibit examples where the rank-based methods completely miss the masked components at all ranks $k<100$, while ten
algebra coordinates recover all of them. In addition, the resulting
algebra representation supports predicting the masked components from few labels, while direct regression from the high-dimensional observation or from the VAMP features fail.
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Machine Learning · Cross-listed from cs.CV
Simple, Safe, and Overlooked: Reclaiming Sustainable Domain Generalization with Statistical Color Matching
Sebastian Doerrich, Francesco Di Salvo, Shyam Nandan Rai et al. (+2 more)
Hardware shifts, color variations, and changing patient characteristics between development and deployment routinely break trained medical image classifiers. Existing remedies fall short: standard color jittering provides insufficient diversity, while deep generative style transfer
algorithms hallucinate features, destroy clinically relevant structures, and waste massive compute resources. To address this, we revisit classical statistical color matching and repurpose it as Colorist, a highly efficient data augmentation strategy that applies global mean-standard deviation matching directly in the RGB color space. We demonstrate that this training-free, fully interpretable approach safely generates structurally intact domain variations, outperforming deep generative models in structural fidelity and color
alignment. Across out-of-distribution histopathology, peripheral blood, dermatology, and retinal
datasets, it improves balanced accuracy by up to +9% over state-of-the-art domain generalization regularizers and by +13% over an unaugmented baseline. Moreover, by avoiding neural networks in the augmentation loop, Colorist preserves anatomical structure, minimizes carbon footprint, and integrates seamlessly into standard dataloaders. Together, these findings establish statistical matching as a safe, interpretable, yet overlooked alternative to deep architectures for clinical robustness. Source code is available at https://github.com/sdoerrich97/colorist.
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All authors Sebastian Doerrich, Francesco Di Salvo, Shyam Nandan Rai, Marco Lents, Christian Ledig
Machine Learning
Converting Expert Deliberation into Financial Signals Through A Context-Aware NLP Pipeline
Vivek Batra, Kristin Chen, Sanjiv Das et al. (+6 more)
We introduce the CDSP (context-conditional deliberation signal pipeline), converting an investment committee's meeting transcripts into structured predictive features. CDSP segments the meeting transcripts into topical chunks, assigns asset-class context labels using a large
language model (LLM), maps financial keywords to a pre-determined taxonomy of labels, and constructs complementary features: sentiment polarity and mention frequency. This feature engineering framework is applied to a
dataset spanning 48 monthly committee meetings to predict if global equities will perform better or worse than global bonds in the following month. In experiments with engineered features, raw transcript text, sentence
embeddings, and combined representations, the prediction accuracy ranges from 62% to 73%, compared to always choosing stocks, which outperforms bonds 60.4% of the time. The best (73% accurate) model combines sentence
embeddings with engineered CDSP features, achieving a 0.73 F1 score (although this is not statistically significant compared to always choosing stocks). Sentiment carries a stronger signal than mention frequency for several taxonomy categories. These findings suggest that experts' deliberations may contain forward-looking information that context-aware NLP can extract.
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All authors Vivek Batra, Kristin Chen, Sanjiv Das, Samuel Judge, Harshad Khadilkar, Sukrit Mittal, Amir Nasrollahzadeh, Daniel Ostrov, Jacob Sisk
Machine Learning
On the Slow Convergence to Trivial Solutions of Algorithms for Hard Optimization Problems
Ali Hussaini Umar, Jean Barbier, Matthieu Jonckheere et al. (+1 more)
Hard combinatorial optimization problems, many of which are NP-hard, present fundamental algorithmic challenges. Average-case analysis on random instances has emerged as a powerful framework for understanding typical algorithmic performance beyond worst-case guarantees. A substantial body of work has established negative results: for sufficiently hard instances (often controlled by the underlying graph connectivity/constraints density), no known
polynomial-time
algorithm can significantly outperform naive heuristics in the double asymptotic limit where both problem size and constraints density tend to infinity. We revisit this picture by studying the finite-size behavior of some optimization
algorithms across easy, intermediate, and hard regimes. Through rigorous analysis of large-graph asymptotics combined with numerical experiments on canonical problems (maximum independent set and maximum $K$-SAT), we demonstrate that while
algorithms do eventually converge to theoretically predicted bounds, this convergence can be remarkably slow. In the intermediate regime where instances are already highly constrained, local
algorithms achieve solutions substantially better than their predicted performance in the high-constraint-density limit. This gap between finite-regime and asymptotic behavior has important practical implications: sophisticated algorithmic design remains crucial even when asymptotic theory predicts inevitable failure.
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All authors Ali Hussaini Umar, Jean Barbier, Matthieu Jonckheere, Manuel Sáenz
Machine Learning
A FEM-Based Surrogate Modelling and Optimization Framework for Physics-Constrained Electromagnetic Coil Design
Yucheng Liu
This work evaluates surrogate-assisted optimization of a seven-parameter current-excited coil–core
benchmark subject to
geometric, manufacturing, and separate core and copper mass constraints. A Python–MPh–COMSOL workflow couples a two-dimensional axisymmetric finite-element method (FEM) model to a Matern 5/2 Gaussian-process (GP) probabilistic surrogate. Here, physics-constrained denotes a design problem evaluated by a governing-equation FEM model and restricted by explicit physical,
geometric, manufacturing, and material-allocation constraints; it does not denote a physics-informed GP architecture. Sequential
Bayesian optimization (BO) ranks candidates using expected improvement (EI), and every reported incumbent is verified by FEM. Five paired runs show that optimizer ranking depends on the available FEM-evaluation budget: EI–BO improves rapidly at small continuation budgets, COBYLA is stronger at the earliest checkpoint, and BOBYQA attains the highest mean terminal response. A retrospective finite-pool study further finds no robust endpoint advantage of EI over posterior-mean ranking on this smooth response surface. The broader result is that early progress, terminal response, information use, and wall-clock cost can favor different methods in simulation-driven design. A selected-design check at a common total current preserves the observed BOBYQA–COBYLA–EI-BO ordering. The conclusions nevertheless remain conditional on this axisymmetric
benchmark and do not establish a fixed-current optimum, fixed-power performance, or electrical-efficiency superiority.
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Machine Learning · Cross-listed from quant-ph
Quantum Tensor Network Learning with DMRG
Gustav J L Jäger, Martin B Plenio and Hans-Martin Rieser
Tensor Networks are a relatively new machine learning approach. The architectures proposed initially are inspired by approaches from
quantum many-body physics simulations. One common layout is the
matrix product state (MPS) also known as a tensor train optimized with gradient descent techniques. We introduce a global normalization condition, so that the MPS represents a
quantum state. We investigate two optimization methods that find the locally optimal tensors and compare them regarding their effectiveness. One is based on gradient descent and the other on an adaptation of DMRG.
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Machine Learning
Graph-Based Approaches to Learning Epileptogenic Zone Localization Using Stereo-EEG Recordings
Daniel Wendelken, Brian Ervin, Ravindra Arya et al. (+1 more)
The epileptogenic zone (EZ) is the
brain region that generates seizures in an individual, and is the target of epilepsy surgery. Localizing the EZ from stereo-
EEG (sEEG) recordings supports
surgical planning, but manual interpretation is time-consuming and focuses on seizure recordings. Graphical learning models of resting-state functional connectivity among the recorded
brain regions are an attractive alternative, but depend crucially on the network
topology chosen for the model. We present a controlled study of graph-based models to explore how graph
topology affects EZ localization from resting-state sEEG in 40 patients. Using the same simple learnable model and leave-one-patient-out evaluation, we compare dense graphs, anatomy- and geometry-informed priors, budgeted sparsification methods, and learned sparsification, including the proposed Region-Bridge-$c$
topology. To compare graph constructions fairly, we control the number of incoming edges per node and vary graph sparsity. At $\approx 30\%$ edge retention, Region-Bridge-$c$ achieves the highest observed mean PR-AUC ($0.371\pm0.015$; ROC-AUC $0.743\pm0.010$) while using $\approx 69\%$ fewer edges than Dense (PR-AUC $0.349\pm0.014$). Spatial-$k$ is competitive, whereas random
pruning requires near-dense retention. Learned sparsification benefits from anatomical node metadata but, on average, does not surpass the best fixed prior. Across all
topologies, the best choice varies by patient. These results suggest that graph construction should be evaluated explicitly rather than treated as fixed preprocessing.
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All authors Daniel Wendelken, Brian Ervin, Ravindra Arya, Ali A. Minai
Machine Learning · Cross-listed from stat.ML
Sharper Regret Bounds for Time-Varying Gaussian Process Bandits with Constant Exploration
Matthias Mandl and Hanne Kekkonen
We study
Bayesian optimization in a time-varying environment where the unknown reward function evolves according to a Gaussian process drift model. Existing GP-UCB analyses in this setting typically require the exploration parameter to grow with the horizon to maintain uniform confidence bounds. Using per-round local confidence events, we show that GP-UCB can instead be run with a constant exploration parameter and obtain an expected-regret bound whose coefficient depends on the drift rate. We also derive a sharper time-varying maximum-information-gain bound. For the squared exponential kernel, it yields $\tilde\gamma_T/T=\widetilde{\mathcal O}(\epsilon^{1/2})$ and expected average regret $\widetilde{\mathcal O}(\epsilon^{1/4})$ in the persistent-drift regime. The same constant-exploration analysis also yields realized-regret guarantees. Simulations support the predicted logarithmic dependence of the bound-suggested exploration parameter on $1/\epsilon$.
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Machine Learning
Multi-stage neural operator learning with application for convolutions
Zhiping Mao, Zhenye Wen, Yong Zhang et al. (+1 more)
Convolution integrals widely exist in applications, and to enable fast and accurate computations, this paper introduces two general multi-stage neural operator learning frameworks. The first, Deep Collocation Neural Operator (DCNO), is a supervised approach that iteratively refines the operator approximation by learning residuals from input-output data pairs. The second, Deep Galerkin Neural Operator (DGNO), is an unsupervised framework applicable when the target operator can be represented by a PDE, leveraging the weak form of the PDE residual for training. Both methods progressively construct basis operators through multiple training stages to enrich the approximation space, leading to significantly improved accuracy over standard one-shot operator learning. We provide theoretical analysis for their approximation capabilities and implement them for learning convolutions. Extensive numerical experiments demonstrate that both DCNO and DGNO achieve high accuracy, approaching machine precision under single float for convolution problems, and offer substantial efficiency gains for numerous queries or parametric variations compared to traditional solvers. We also extend these frameworks to handle multi-input operator learning scenarios involving variations in both the density and kernel of a convolution.
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All authors Zhiping Mao, Zhenye Wen, Yong Zhang, Xiaofei Zhao
Machine Learning
GEAR: Generative Expansion and Real Anchoring for Two-Stage Distillation of Tabular Foundation Models
Qi Qin, Jiajie Zhu, Dali Chen et al. (+6 more)
Tabular foundation models (TFMs) achieve strong performance through in-context learning, but context-dependent inference imposes substantial latency and
memory costs, hindering large-scale deployment. We propose GEAR (Generative Expansion and Real Anchoring), a modular two-stage framework that distills TFMs into lightweight MLP or tree-based predictors that can be deployed on commodity CPUs. Stage 1 uses synthetic
covariates solely as teacher-query locations and trains the student on soft TFM targets, expanding coverage beyond observed rows. Stage 2 re-anchors the student to the target distribution using real labels and out-of-fold teacher predictions, whitch avoids self-labeling leakage. We further derive a risk certificate characterizing the trade-off between generated-query volume and generator fidelity. Experiments on TALENT and TabArena demonstrate the broad applicability of GEAR. Two-stage MLPs outperform supervised MLPs by 1.81–2.00 AUC points on binary tasks and 1.19–1.35 points on multiclass tasks, with additional gains over real-data-only
distillation of 1.76–2.19 and 2.09–2.40 points, respectively. On binary tasks, the gains also transfer to LightGBM and XGBoost, and all three student families outperform CatBoost, the strongest non-TFM baseline, in mean AUC. Ablations show gains beyond longer training or alternative warm starts, greater stability from staged than mixed optimization, and generator-dependent diminishing returns as query volume increases. Finally, GEAR reduces median inference time by 57–2866 times and peak prediction
memory by 1.9–3.3 times, while retaining higher AUC than matched supervised baselines.
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All authors Qi Qin, Jiajie Zhu, Dali Chen, Yuzhao Zhang, Jia-Xing Han, Peng Zhang, Ying Yan, Yifan Sun, Yu Su
Machine Learning
MLREF: Efficient Module Reuse for Reward Design in Reinforcement Learning via Large Language Models
Chenglin Liu, Xun Wang, Ruishuo Chen et al. (+2 more)
Reward function design remains a bottleneck in reinforcement learning. While large
language models (LLMs) have enabled automated reward generation, existing methods generate and revise reward functions as monolithic programs, making it difficult to reliably preserve and reuse effective components discovered in earlier iterations, leading to unstable performance across iterations. To address this, we propose Module Level Reward
Evolution Framework (MLREF). At the core of MLREF is a module pool, a persistent repository of reusable reward components. MLREF treats the module pool as the primary optimization object: the pool evolves across iterations by accumulating successful modules, refining underperforming ones, and reusing proven components; while reward functions are constructed as linear combinations of modules drawn from this pool. To drive this
evolution, MLREF integrates three mechanisms: reflection-based refinement, hybrid credit assignment, and a merge strategy with rollback, which together improve the effectiveness and robustness of reward optimization. Experiments on 17 tasks show that MLREF outperforms strong baselines by 25.2% in locomotion and 6.6% in manipulation, with more stable optimization dynamics.
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All authors Chenglin Liu, Xun Wang, Ruishuo Chen, Zhuoran Li, Longbo Huang
Machine Learning · Cross-listed from cs.CL
Understanding Multilingual Medical ASR Adaptation Through Layer-Wise Analysis
Souranil Kahali, Rituparna Bose, Abner Hernandez et al. (+4 more)
Medical automatic
speech recognition (MedASR) requires adaptation to specialised terminology, limited annotated clinical data, and
multilingual use cases. Although large-scale pretrained ASR models such as Whisper achieve strong generalisation, their behaviour after medical and
multilingual adaptation remains insufficiently understood beyond word error rate (WER). This paper investigates how
multilingual medical adaptation reshapes the internal representations of Whisper models through layer-wise encoder analysis. We compare zero-shot decoding, English-only fine-tuning, German-only diagnostic fine-tuning, two-stage EN->EN+DE continuation, and direct EN+DE fine-tuning across Whisper model sizes. Fine-tuning substantially improves MedASR performance, but the best model depends on the adaptation setting: Whisper-Medium gives the lowest English WER (7.72%) and the lowest combined EN+DE WER under direct EN+DE training (26.30%); German-only Whisper-Large-v3 gives the lowest German WER (44.96%), but as a within-corpus diagnostic on 86 single-speaker training utterances rather than robust generalisation. Layer-wise analysis of the two-stage Whisper-Small trajectory shows that English medical fine-tuning produces the dominant encoder shift, whereas
multilingual continuation largely preserves the adapted representation space. Domain and
language information remain highly recoverable across layers, while linearly recoverable error-predictive cues weaken as WER improves.
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All authors Souranil Kahali, Rituparna Bose, Abner Hernandez, Tomas Arias-Vergara, Andreas Maier, Ning Ma, Paula Andrea Perez-Toro
Machine Learning
A Unifying Relational Perspective on Expressive Lottery Tickets
Lorenz Kummer, Samir Moustafa, Anatol Ehrlich et al. (+4 more)
Graph neural networks (GNNs) are widely used, but how parameter sparsity affects the expressivity of relational (RGNNs) and temporal (TGNNs) variants is poorly understood. The Strong Expressive Lottery Ticket Hypothesis (SELTH) posits the existence of sparse GNNs that preserve Weisfeiler-Leman (WL) expressivity on static graphs. We generalize this existence result to a probabilistic statement for multi-relational and temporal domains via the relational WL (RWL). We prove that sufficiently parameterized RGNNs contain sparse subnetworks that maintain 1-RWL expressivity and derive a lower bound on the probability that a random
pruning yields such a subnetwork. We show that common TGNNs and cross-graph message passing schemes admit RGNN reformulations such that they inherit these guarantees and, moreover, that the expressivity of a sparse RGNN is connected to its optimization behavior under common update regimes. Experiments instantiate the bound, compare it to empirical probabilities on synthetic data, and study how pre-training expressivity relates to optimization and prediction quality metrics on temporal and molecular
benchmarks.
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All authors Lorenz Kummer, Samir Moustafa, Anatol Ehrlich, Franka Bause, Marco Nennstiel, Przemysław Andrzej Wałȩga, Nils Morten Kriege
Machine Learning
Many Optimizers But Only One Training Path: Repeated Resampling for Adaptive Optimizer Selection
Ronald Richman and Mario V. Wüthrich
An optimizer is usually chosen before training a deep neural network and then kept fixed. Treating optimizer choice as a hyperparameter could boost performance, but it requires several complete training runs and discards all but the winner. Repeated Optimizer Resampling (ROR) instead searches during one evolving run. Every $b$ epochs, each candidate optimizer scouts from the current model weights for $s$ epochs. The best scout continues for the remaining $b-s$ epochs, and that completed segment becomes the new incumbent if it improves the validation objective. This design allows the preferred optimizer to change as training progresses. We compare two variants of ROR on MNIST, Fashion-MNIST, and two motor insurance claim-count models. Nine fixed optimizers and both ROR variants are evaluated with the same ten seeds. One-epoch ROR uses 24% to 35% of the aggregate training needed to identify the best fixed optimizer exhaustively and remains close to that optimizer on all four tasks. These results support short scouting as a practical way to search over optimizers without completing every candidate run.
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Machine Learning
Tensor Field Models
Alexander Strunk and Roland Assam
This paper introduces Tensor Field Models (TFMs), realization-level Mathematical Structures in which a learned Operator maps a product of admissible component-section families to a prescribed family of time-dependent tangent sections on a Generative State
Manifold. Analytic and dynamical restrictions are encoded through the choice of admissible families rather than imposed by the root definition. Constructed, component-separable, and Tensor Bundle TFMs provide structured refinements of this common object. In the conditional realizations considered here, a structured condition $c=(c_1,\ldots,c_n)$ is mapped componentwise to a reusable collection $\mathbf H_c=(H_{c_1}^{(1)},\ldots,H_{c_n}^{(n)})$. In the architectures evaluated here, the component representations remain distinct and are combined only by the Field Operator to produce the generated Vector Field. All learned models are trained using Flow Matching. Experiments show that TFMs can improve performance and that amortized sampling enabled by reusable condition representations can accelerate generation.
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Machine Learning
Forgetting, plasticity, and co-observation: a third facet of continual learning
Timm Hess, Abhishek Jha, Gido M. van de Ven et al. (+1 more)
Efficient continual learning remains a fundamental challenge for deep neural networks. While catastrophic forgetting and loss of plasticity are widely considered the primary obstacles to overcome, we show that these two issues cannot fully explain the performance gap between naive sequential training and offline joint training. In this paper, we highlight data co-observation as a distinct factor influencing continual learning performance. By decoupling the constraints of separate data access from stability and plasticity, we systematically investigate the representational benefits gained by observing training data together. Empirically, we demonstrate a consistent performance difference between joint and separate training across both supervised and self-supervised paradigms in generic data-incremental "chunking" scenarios, whilst mitigating forgetting and controlling for plasticity. Our findings indicate that simultaneous observation of training data (co-observation) yields benefits to the learner's generalization that extend well beyond mere knowledge retention, and that this effect does not require a specific continual distribution shift. Furthermore, we contextualize prominent continual learning mechanisms through this lens: while
distillation-based approaches act only as effective knowledge retention mechanisms, our results suggest that the empirical success of
memory replay goes beyond the mitigation of forgetting, actively reintroducing the benefits of data co-observation into the learning process.
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All authors Timm Hess, Abhishek Jha, Gido M. van de Ven, Tinne Tuytelaars
Machine Learning
A Real-Time Tsetlin Machine-based Non-intrusive Load Monitoring System on MCUs
Han Wu, Tianhang Tan, Shengyu Duan et al. (+3 more)
Non-Intrusive Load Monitoring (NILM) systems estimate individual appliance energy consumption from a single aggregate meter, without requiring separate sensors for each device. By installing a single meter that measures a building's total electricity consumption, NILM
algorithms can determine the active status of each appliance. However, traditional NILM systems use computationally intensive optimization
algorithms to process offline data, limiting their capability for on-device deployment, where sensitive household data must be processed locally. This paper proposes a Tsetlin Machine (TM)-based NILM framework, targeting real-time applications on resource-constrained microcontrollers (MCUs), enabling
privacy-preserving edge deployment. The problem is reformulated as a classification task, and the proposed approach achieves an average precision of 90% and recall of 96% for two-appliance classification, and 77% precision and 80% recall for four appliances on the REDD
dataset. The trained model occupies only 17 KB of flash
memory and achieves an inference latency of 0.43 ms on an ESP32, demonstrating its suitability for NILM applications on MCUs.
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All authors Han Wu, Tianhang Tan, Shengyu Duan, Alex Yakovlev, Rishad Shafik, Tousif Rahman
Machine Learning
GraphK: Variable-Size Graph Generation with Efficient Edge Construction
Resul Tugay, Eren Oluğ, Elif Ak et al. (+1 more)
Graph generation models have advanced significantly with deep learning, yet they remain limited in scalability, flexibility, and ability to model underlying structures. We present GraphK, a novel encoder-sampler-decoder framework for graph generation that overcomes these challenges through structural flexibility and computational efficiency. Unlike autoregressive approaches constrained by vocabulary size (i.e. number of nodes in graph generation), GraphK allows for both upscaling (generating graphs with more nodes than the input) and downscaling, providing a flexible control over output graph size. By learning permutation-invariant latent representations and sampling new node
embeddings via maximum likelihood estimation, GraphK generalizes across graph sizes and structures. For edge generation, we employ edge prediction with a KDTree-based top-k neighbor search in the latent space, reducing computational cost. Based on the
manifold smoothness assumption, our method effectively captures graph properties. Experiments on synthetic and real-world
datasets show that GraphK outperforms existing methods, accurately learns graph structures, and generates synthetic graphs without explicit definitions.
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All authors Resul Tugay, Eren Oluğ, Elif Ak, Sule Gunduz Oguducu
Machine Learning · Cross-listed from cs.CV
MIFR: A Modality-Invariant and Fair Representation Framework for Skin Disease Classification
Asonyu Senge Njih, Yvan Guifo Fodjo, Vianney Kengne Tchendji et al. (+2 more)
Skin diseases represent a major global public health burden, yet machine learning tools developed to assist in their diagnosis suffer from two critical limitations: reliance on only one modality for diagnosis and systematic performance disparities across skin tones. While existing approaches address each challenge separately, this work proposes a modality-invariant framework with fair representation (MIFR) for skin disease classification. The architecture pairs clinical photographs with dermoscopic images using ViT-based encoders, projecting each input into a high-dimensional
embedding space via modality-specific projection heads. The resulting model is trained with a five-component multi-objective loss including weighted cross-
entropy for classification, confusion and skin-type classification losses for
fairness, per-modality supervised contrastive loss for class
alignment, and a modality-invariance loss for clinical and dermoscopic modality
alignment. Experiments on the HIBA+Derm7pt paired
dataset and the external PAD-UFES-20 and ISIC 2019
datasets showed that modality-invariant representation learning provides competitive predictive performance compare to relevant baseline models and competitive
fairness on the internal
dataset. t-SNE visualizations confirmed that clinical and dermoscopic
embeddings of the same disease are geometrically aligned, validating the joint objectives.
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All authors Asonyu Senge Njih, Yvan Guifo Fodjo, Vianney Kengne Tchendji, Jerry Lacmou Zeutouo, Kerol Djoumessi
Machine Learning
To Go Far, Go Together: Diverse Preferences Induce a Curriculum for Reward Optimization
Taehyung Kim and Jongeun Choi
Learning a reward model from human feedback and optimizing a policy against it is one approach to aligning AI systems with individual users. From a
fairness perspective, existing work improves such
alignment by developing data-efficient and accurate reward models that capture minority preferences despite scarce data. We push this line of inquiry one step further and argue that data-efficient and accurate per-user reward models are not sufficient: users whose reward models are difficult to optimize at the policy level can become a new underserved group. We start from the observation that one user's reward model can be easy to optimize from the initial policy while another's is not. We argue that, given a sufficiently diverse user population, a curriculum naturally emerges between easy- and hard-to-optimize reward models. Building on this insight, we propose CurriPO, which grows a tree-structured curriculum to accommodate diverse user-specific objectives, covering the population in a single traversal. Specifically, CurriPO automatically constructs a curriculum over diverse user reward models, allowing it to branch from the existing curriculum and reuse reward models previously incorporated into the curriculum. To the best of our knowledge, this is the first work to explicitly exploit multi-user structure to address optimization in AI
alignment. Extensive experiments on personalized continuous control in a simulated environment show that CurriPO achieves $1.2$–$2.1\times$ the population satisfaction of the strongest baseline while substantially reducing training time. Additional analysis attributes much of this improvement to the users left underserved by conventional optimization.
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Machine Learning · Cross-listed from cs.CL
Gradient Mirage: Trainable yet Label-Unidentifiable Gradients in Large Language Model Split Learning
Shiyu Miao, Yunlong Mao, Zirui Huang et al. (+5 more)
Gradient matching attacks (GMAs) in LLM split learning (SL) rely on a critical yet underexplored assumption: the gradient exposed at the split interface is a faithful derivative of the client's full-label training objective. This gradient-objective consistency allows a curious server to recover private labels by searching for a sequence whose induced gradient explains the observation. We propose Gradient Mirage, a defense that breaks this consistency without discarding the optimization utility of the backward signal. Our key idea is to induce the adversary to solve a misspecified inverse problem, in which no plausible label sequence in the sequence space can explain the observed gradients. Concretely, Gradient Mirage achieves this by inducing inconsistency across three dimensions: objective, direction, and scale. Selective Autoregressive Supervision derives the exposed gradient from a masked surrogate loss rather than the full-label objective assumed by the attacker; Scale Blinding then applies randomized multiplicative rescaling, obscuring the gradient's natural magnitude; and Directional Privatization further randomizes the gradient direction while preserving its magnitude through the von Mises-Fisher (vMF) mechanism under a directional metric differential
privacy guarantee. Crucially, utility is preserved: the Top segment still learns from all target
tokens via Dual-Track Backpropagation, the exposed gradient remains informative since each supervised
token retains its complete autoregressive context, and Bottom-Gradient Recovery restores the effective gradient for Bottom-segment optimization. Extensive experiments show that Gradient Mirage provides substantially stronger protection than existing defenses under comparable fine-tuning performance, achieving a better
privacy-utility trade-off.
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All authors Shiyu Miao, Yunlong Mao, Zirui Huang, Liang Yao, Tianshuo Zheng, Yanhui Gu, Fan Liu, Sheng Zhong
Machine Learning · Cross-listed from cs.CL
Learning Canonical Register Automata over Ordered Data Domains
Yong Li, Qiyi Tang and Di-De Yen
Register automata are finite automata equipped with
memory that recognize data
languages over infinite alphabets. In this work, we investigate active learning
algorithms for deterministic register automata (DRAs) over ordered data domains–covering both dense domains, such as the rationals, and non-dense domains such as the integers. We show that the active learning problem for DRAs over both dense and non-dense ordered domains can be treated within a single unified framework. More specifically, we develop and implement a
polynomial-time active learning procedure for DRAs over ordered domains, using oracles for membership, equivalence and memorability queries. The memorability queries were originally introduced for learning DRAs over domains with identity tests. Our unified framework also leads to a new consequence: minimization of DRAs over the non-dense ordered domain of integers is decidable, extending a result previously known only for dense domains. Finally, we give improved complexity bounds of several decision problems for DRAs over ordered domains that are closely related to the queries used in active learning.
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Machine Learning
Enhancing Distance-Based Graph Autoencoders with Structural Penalties for Dynamic Graph Embedding
Aleksandar Tomčić, Miloš Savić and Miloš Radovanović
Graph autoencoders (GAEs) are widely used for learning representations of dynamic graphs. However, their optimisation objectives typically do not take structural heterogeneity across nodes into account. We propose three distance-based GAE variants that incorporate structural penalties into the reconstruction loss. All variants share a two-layer Graph Convolutional Network encoder and a Euclidean-distance decoder trained with distance-based reconstruction objectives. We extend sparsity-corrected loss with two node-level regularization terms: (i) a hub penalty based on degree centrality, and (ii) a penalty based on Natural Community Local Intrinsic Dimensionality (NC-LID). The paper is motivated by prior evidence linking high NC-LID to reduced
embedding quality. The proposed methods are designed to emphasize reconstruction errors for structurally ambiguous nodes. Experiments on multiple dynamic graph data sets show that incorporating NC-LID-based regularization consistently improves reconstruction performance over the baseline without structural regularization and the method using hub-aware regularization. These findings highlight NC-LID as a useful structural signal for enhancing distance-based graph autoencoders in dynamic settings.
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Machine Learning
Beyond Predictive Fairness: Quantifying Attribution Consistency Across Demographic Groups in Diabetic Retinopathy Screening
Kerol Djoumessi and Philipp Berens
Fairness in medical imaging is commonly evaluated through subgroup performance metrics, yet it remains unclear whether models rely on consistent visual evidence across demographic groups. This work introduces the Explanation Consistency Score (ECS), a
fairness-aware metric based on Jensen-Shannon divergence that quantifies the similarity of attribution maps across subgroups. Using diabetic retinopathy screening as a case study, ECS is evaluated globally and within disease severity. Experiments reveal that while predictive performance differs across ethnic groups, explanation consistency remains relatively high and shows no significant association with performance disparities. These findings suggest that predictive
fairness and explanation consistency capture complementary dimensions of model behavior, motivating
fairness evaluations that extend beyond predictive performance.
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