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Thursday 27 August

Machine Learning

Leveraging a Foundation Model for the EEG-Based Diagnosis of Alzheimer's Disease

Biological heterogeneity in Alzheimer's Disease (AD) poses a critical diagnostic challenge, particularly for traditional linear methods that fail to capture non-linear neural dynamics. To address this, we propose a diagnostic framework utilizing the Large Brain Model (LaBraM), pretrained on over 2,500 hours of EEG data. By integrating these high-dimensional latent embeddings with a non-linear Random Forest classifier, our approach effectively isolates robust disease markers. Under a rigorous subject-independent 5-fold cross-validation protocol, the method achieves an ROC-AUC of 89.36% +/- 3.49%, PR AUC of 81.45% +/- 4.43%, and Balanced Accuracy of 82.44% +/- 4.34% in distinguishing dementia patients from healthy controls. Notably, this performance uses only 8-second EEG segments, surpassing traditional spectral baselines, including band-power and parameterized oscillatory features (FOOOF). Post-hoc occlusion analysis confirms the model captures clinically validated biomarkers, specifically occipital-frontal Alpha and Theta rhythm degradation. Additional neurophysiological alignment analysis demonstrated that higher LaBraM-predicted dementia probability significantly correlated with worse cognitive performance, greater clinical severity, increased theta and alpha relative power, and higher aperiodic exponent. These findings demonstrate that deep latent representations extract clinically relevant signatures from noisy signals, enabling precise, rapid, and data-efficient diagnosis.
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Machine Learning

Beyond Non-IID: Learner–Client Distribution Mismatch in Federated Learning

Federated learning systems are increasingly deployed to facilitate collaborative model training across a heterogeneous client population. Existing practice mostly implicitly assumes that the aggregated client data distribution is representative of the learner's target distribution or that learning from all available clients is uniformly beneficial for the learner distribution. However, such an assumption often does not hold in reality. Traditional client selection strategies in FL literature largely overlook such misalignment, while most existing work on multi-source transfer learning either requires direct access to local data or uses one-shot model/feature aggregation. In this paper, we take the initiative to understand and mitigate the impacts of such learner-client population misalignment. In particular, we consider the practical setting where the learner keeps a small proxy dataset. We observe that client contributions vary significantly across training rounds, and traditional technology is insufficient to identify beneficial sources under multi-source transfer diversity. Then, we propose a dynamic, influence-aware client selection framework that estimates each client's potential utility to the learner's optimization objective using proxy influence signals on a learner-specific proxy set. Via using leave-one-out evaluations, we prioritize the most informative sources of knowledge while controlling the negative impacts of statistical noise and data heterogeneity. Experiments on CIFAR-10 under heterogeneous data partitions demonstrate that our approach consistently outperforms static and dynamic baselines, achieving faster convergence and higher accuracy.
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Machine Learning

DART-FL: Burst-Aware Multitask Federated Learning under Dynamic Inference Demand at the Edge

Edge intelligence systems increasingly require model training and online inference to coexist on resource-constrained devices, while inference demand can vary substantially across tasks over time. This creates two coupled challenges: sufficient computation must be reserved for inference to maintain service-level objectives (SLOs), while the remaining training capacity should adapt to task-specific demand so that frequently requested tasks can improve earlier during training. We propose an SLO-aware, demand-driven multitask federated learning framework (DART-FL) that jointly adapts the inference-training resource split and task-level training emphasis. At each scheduling interval, DART-FL uses the inference backlog and profiled service capacity to determine the minimum resource allocation required for inference. The remaining training capacity is then distributed across tasks using a queue-aware DPP-inspired scheduler, and the resulting task allocations are mapped to dynamic loss weights. This allows tasks experiencing higher inference demand to receive greater training emphasis in earlier communication rounds. Clients train a shared backbone with task-specific heads, and the complete multitask model is aggregated through FedAvg. We evaluate DART-FL using Stanford Cars and Oxford Flowers 102 under both synthetic and real Alibaba trace-derived workloads. Results show that DART-FL dynamically adapts the inference-training resource split to time-varying inference demand and shifts the learning progress of high-demand tasks toward their burst periods, improving model accuracy when those tasks are frequently requested while maintaining comparable long-term multitask performance.
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All authors Yiming Xie, Pinrui Yu, Geng Yuan, Xue Lin, Ningfang Mi

Machine Learning · Cross-listed from math.OC

On the Computational and Statistical Efficiency of the Empirical Maximum Entropy on the Mean Method

The Maximum Entropy on the Mean (MEM) method provides a flexible computational framework for solving inverse problems by combining data fidelity with entropy-based regularization. In practice, however, the prior distribution is typically unknown but can be estimated from data, giving rise to the empirical MEM method. We establish a parametric convergence rate of $O(n^{-1/2})$ in expectation for empirical MEM, improving upon the previously established $O(n^{-1/4})$ guarantee by King-Roskamp et al. (2026). Our proof is based on a novel stability analysis of the primal and dual optimization problems under perturbations of the underlying probability measure, relying only on foundational tools from convex analysis and probability. We further show that the MEM dual problem admits a reformulation as an expected risk minimization problem, thereby placing MEM within the modern framework of stochastic optimization and enabling scalable stochastic gradient algorithms for large-scale inverse problems. Together, these results place empirical MEM as a statistically and computationally efficient methodology for data-driven inverse problems.
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All authors Matthew King-Roskamp, Gabriel Rioux, Rustum Choksi, Tim Hoheisel

Machine Learning

RiskBlend: A Multi-Signal Framework for Test Input Prioritization in Machine Learning Regression Testing

When machine learning classifiers are retrained, inputs correctly classified by the previous model version may be misclassified by the updated version, creating regression faults that are costly to detect because verifying predictions against ground truth may require human annotation, expert review, or expensive simulation rather than inexpensive model inference. Test input prioritization addresses this problem by ranking inputs so that a limited verification budget reveals as many regression faults as possible. Existing approaches rely predominantly on single-model confidence scores and do not exploit how predictions, decision boundaries, and local neighborhoods change between model versions. We propose RiskBlend, a classifier-agnostic prioritization framework that combines four complementary risk signals: historical failure patterns, prediction shift, decision-boundary shift, and neighborhood change. These signals are combined using validation-learned APFD-squared weighting. Across four datasets, five classifiers, four regression-update scenarios, and 15 random seeds, totaling 1,200 experimental configurations, RiskBlend achieves the highest average APFD in all 80 dataset-classifier-scenario combinations, with improvements of up to 0.32 APFD over the strongest baseline. Confidence-based methods remain competitive primarily for linear classifiers on sparse categorical features, which we attribute to feature-space geometry. The results show that cross-version behavioral signals provide important complementary information for prioritizing regression faults in machine learning systems.
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Machine Learning · Cross-listed from eess.IV

CARDINAL Predicts Cardiovascular Risk From Non-contrast Cardiac CT

Cardiovascular risk prediction remains limited by incomplete clinical data and imaging biomarkers that reduce computed tomography (CT) to a small number of handcrafted features. We developed CARDINAL (Cardiovascular Assessment via Representation learning from Deep Imaging with Nested Anatomical Latent embeddings), a clinically grounded framework that learns compact representations from routine non-contrast cardiac CT for major adverse cardiovascular event (MACE) prediction. In 17,659 patients, CARDINAL was evaluated for 1-, 3-, 5-, and 10-year MACE prediction against American Heart Association (AHA) pooled cohort equations (PCE), AHA predicting risk of cardiovascular disease events (PREVENT), coronary artery calcium (CAC), segmentation-derived CT biomarkers, and 70-feature structural radiomics. Gains were largest at longer horizons. At 10 years, CARDINAL (joint) achieved an area under the receiver operating characteristic curve (AUROC) of 0.866 $\pm$ 0.020 and an area under the precision-recall curve (AUPRC) of 0.890 $\pm$ 0.015, compared with an AUROC of 0.826 $\pm$ 0.023 and an AUPRC of 0.826 $\pm$ 0.022 for structural radiomics, the strongest baseline. CARDINAL also achieved the highest survival concordance index (C-index), 0.753 $\pm$ 0.015, and high-versus-low risk-tertile hazard ratio, 10.78 $\pm$ 3.16, with favorable reclassification and exploratory calibration. These findings suggest that non-contrast cardiac CT contains prognostic information beyond conventional risk equations, CAC scoring, and engineered imaging biomarkers.
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All authors Roy Gabriel, Nattakorn Kittisut, Jamshid Hassanpour, Michael Galarnyk, Abanoub Abdelmalak, Marly van Assen, Carlo N. De Cecco, Arshed Quyyumi, Ali Adibi

Machine Learning

SafeStep: An Interactive Demonstration of Semantic Communication for Pedestrian Safety Monitoring

In this paper, we develop SafeStep, an interactive browser-based semantic communication platform for live pedestrian safety monitoring. SafeStep extracts pedestrian information from four live traffic-camera feeds, transmits it through a semantic communication transceiver over a software-emulated Additive White Gaussian Noise (AWGN) channel, and renders user-specific positions, trajectories, and risk labels. The platform allows each user to select the transceiver, Signal-to-Noise Ratio (SNR), codelength, and Age of Information (AoI) and view the resulting pedestrian reconstruction. SafeStep compares a recently proposed semantic communication design called Meta-VIB with five baseline transceivers. Meta-VIB uses a compact neural model with only $4.16$ million parameters to generalize across varying SNR, codelength, and AoI values without online retraining. Meta-VIB achieves mean task-loss reductions of up to $92.1\%$. On one high-end GPU server, the integrated concurrent-access workload maintains the target $5$ frames/s through $20$ users. At $100$ users, each requesting a distinct configuration, SafeStep records no request failures and a mean application response time below $1$ s, but its mean per-browser frame rate falls to approximately $1$ frame/s. To our knowledge, SafeStep is the first real-time semantic communication platform to make AoI-induced downstream degradation directly observable in live monitoring applications.
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All authors Christian McDowell, Andrea Panebianco, Jeremiah Yang, Sirin Chakraborty, Samuel Chamoun, Travis Ross, Yin Sun

Machine Learning

SegBench-GC: Testing Segmentation Invariance in Multi-Step Offline Goal-Conditioned Reinforcement Learning

Offline goal-conditioned reinforcement learning (GCRL) often uses trajectory structure for future-goal sampling and multi-step targets, yet logged trajectories may be partitioned for administrative reasons that do not correspond to termination. We introduce SegBench-GC, a controlled stress test of segmentation invariance that holds transitions, source trajectories, goal sampling, optimization settings, and evaluation fixed while varying only artificial backup boundaries and whether those boundaries retain continuation value. Continuation-valid targets (CVT) provide the segmentation-consistent control: reward accumulation stops at an artificial cut, but the target bootstraps from its stored successor. In a matched-count PointMaze study with 35,000 artificial cuts, three segmentation realizations, and three optimization seeds, final 50-episode-per-task success is 50.5% uncut, 39.1% with CVT, and 19.1% when the same cuts are treated as absorbing; across segmentation realizations, naive mean success ranges from 4.8% to 31.9%. An independent published n-step baseline (n=25) from the Decoupled Q-Chunking codebase shows the same failure on Puzzle-4x5: 47.2% uncut, 58.5% CVT, and 0.27% naive across three optimization seeds. A target-level diagnostic verifies the analytic target difference to numerical precision, and learned-critic diagnostics show a large optimistic shift under naive handling while CVT remains approximately aligned with the uncut critic. CVT applies standard continuation bootstrapping rather than a new Bellman rule; the contribution is the controlled benchmark, failure isolation, and cross-learner evidence that administrative segmentation can materially change multi-step offline GCRL.
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Machine Learning

Unsupervised Continual Learning with Growing Self-Organizing Maps and Synthetic Replay

This work presents a generative continual learning framework based on growing self-organizing maps (GSOMs) that are augmented with learned distributional statistics as well as encoder-decoder models for class-incremental learning. The proposed approach enables exemplar-free replay using distributional statistical memory, which eliminates the need to store raw data. Each GSOM unit maintains its own mean, variance, and covariance estimates, which are subsequently used to generate synthetic samples for replay; in encoder-decoder configurations, these samples are then decoded back into the input space (via ancestral sampling) for subsequent training. Our method is fully unsupervised, as it does not rely on explicit task boundaries or class labels during training. Results across multiple benchmarks show that the proposed approach achieves performance competitive even with supervised state-of-the-art memory-based methods while consistently outperforming memory-free approaches. In several settings, our framework matches or exceeds existing baselines, particularly in challenging single-class incremental scenarios. We also provide baseline results for single-class incremental TinyImageNet and MiniImageNet, offering a useful reference for future work. This work highlights the effectiveness of an unsupervised, adaptive, topology-driven neural form of statistical replay as a scalable, flexible approach to continual learning.
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Machine Learning

More Data Cannot Break a Symmetry: Identifiability by Design

Unsupervised representational alignment recovers a stimulus-by-stimulus correspondence from geometry alone, but the automorphism group of the stimulus geometry bounds what any such alignment can identify, before data exist. The obvious diagnostic for this degeneracy, the cheapest non-identity relabelling, ranks two published designs in the wrong order, because dense sampling creates near-duplicates whose transposition is nearly free. We turn this known invariance (Demetci et al., 2024) into a design-time diagnostic and intervention. In colour, where candidate geometries have closed form, we show that the failure is structural: sixty-four times the restart budget leaves a symmetric design unmoved while an asymmetric set at the same N recovers every time. Discriminating representational models and recovering a correspondence are essentially uncorrelated objectives (r = -0.02 over 3,000 subsets). Choosing nine colours by this diagnostic alone, without consulting any learned representation, moves all 93 model representations away from the degenerate point and cuts catastrophic alignment failures from 75% to 2% with the models, the layers, N and the solver all held fixed. The same risk arises wherever a regular design meets its candidate geometry's isometry group, including evenly spaced orientations, tones, or motion directions, and the check costs one function call before data collection.
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Machine Learning

Curvature-Aware Radius Shrinkage for Adaptive Nearest Neighbor Classification

Nearest neighbor classification relies fundamentally on how locality is defined, yet conventional $k$-NN imposes the same neighborhood cardinality throughout the feature space. This assumption can be inadequate for data whose local geometry varies substantially across the underlying manifold. We introduce Curvature-Aware Radius Shrinkage for Adaptive Nearest Neighbor Classification (CARSANN), a geometry-driven framework that adapts the spatial support of each neighborhood according to local geometric complexity. CARSANN first estimates intrinsic dimensionality using TwoNN and constructs an intrinsic representation through principal component analysis. Local mean curvature is then estimated using a shape-operator-based formulation and controls neighborhood scale: highly curved regions receive stronger radius shrinkage, whereas approximately flat regions retain broader spatial support. Unlike methods that modify only the number of neighbors or the local metric, CARSANN explicitly adapts the spatial extent of local evidence. Experiments on more than 70 real-world OpenML datasets show that CARSANN consistently improves upon standard $k$-NN and is competitive with adaptive nearest-neighbor methods. In a controlled comparison using the same base neighborhood size, CARSANN achieves higher balanced accuracy on 40 of 45 datasets, increasing mean balanced accuracy from 0.6506 to 0.7528. The advantage also persists against $k$-NN with fixed $k=5$. Friedman and Nemenyi tests confirm that the improvements are statistically significant. These results indicate that local manifold curvature can serve as an effective geometric control variable for adapting neighborhood support, providing a complementary paradigm to cardinality-based nearest-neighbor adaptation.
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Machine Learning · Cross-listed from cs.CV

Depth-Aware Pothole Detection Using YOLO and RT-DETR at the Edge

Pothole detection and its severity measurement is still an important challenges in urban infrastructure management, where late maintenance directly contributes to vehicle damage, road accidents, and escalating repair costs. Existing automated approaches depend on 2D RGB images and cannot measure physical depth of potholes. In this paper, we present a depthaware pothole detection framework and then compare five architectures: YOLOv8n, YOLOv8nSeg, YOLOv9t, RTDETRL, and RTDETRX for RGB-D sensor fusion-based detection and automated depth measurement. A custom offline augmentation pipeline is used here to simulate adverse road monitoring conditions. All models are trained on the PothRGBD dataset with an 80% training and 20% validation split and evaluated using Precision, Recall, mAP@50, and mAP@50_95. Before measuring the depth data, all depth maps are corrected for camera tilt using RANSAC ground-plane orthorectification and all zero-valued sensor pixels are cast to NaN before any statistic is computed. YOLOv8nSeg achieves the highest mAP@50 of 0.9556 and mAP@50_95 of 0.6758 with the most accurate depth estimate of 2.96 cm with the pixel-precise Dseg algorithm. YOLOv8n achieves the fastest inference at 3.6ms. RTDETRX achieves the highest detection confidence at 92.70%. An important finding is that even after full RANSAC orthorectification, bounding box models overestimate pothole depth by 0.16 to 0.21 cm compared to pixel precise segmentation masks. This confirms that the pavement inclusion bias is structural rather than a calibration artifact.
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Machine Learning · Cross-listed from quant-ph

Quantum SEDONet: Spectrally-Embedded Quantum Deep Operator Networks for Partial Differential Equations

Quantum DeepONet accelerates neural-operator inference by evaluating an orthogonally parameterized network on a quantum computer, reproducing in ideal simulation the accuracy of its classical counterpart at asymptotically lower inference cost. Its trunk network, however, receives query coordinates with limited spectral structure, requiring the network to learn oscillatory features through its nonlinearities. We propose Quantum SEDONet (Spectral-Embedded Deep Operator Network), which assigns each trunk coordinate a spectral basis according to its boundary condition: Fourier features for periodic coordinates and Chebyshev features for bounded, non-periodic coordinates. The basis is selected per coordinate rather than per problem, allowing both representations within a single problem. Under unary amplitude encoding, the embedding incurs no additional qubits or circuit depth when its dimension remains within the network width, while increasing the parameter count by only a few percent. Across four benchmarks, Quantum SEDONet reduces the mean relative L2 error by 54.1% for the antiderivative, 49.6% for advection, 36.0% for Burgers, and 36.2% for a mixed-boundary channel Poisson problem. Quantum and classical evaluation paths agree to within 10^-8 throughout. The channel Poisson problem simultaneously uses Fourier features in the periodic direction and Chebyshev features in the bounded direction, demonstrating coordinate-wise boundary-matched spectral embedding without additional quantum-resource cost.
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All authors Muhammad Abid, Arth Sojitra, Bipin Tiwari, Omer San

Machine Learning · Cross-listed from cs.NE

Tensor-Accelerated Eager Multi-Resolution Grids for Evolving Large-Scale Substrates

In neuroevolution, indirect encoding generates neural network connectivity from a compact genome rather than specifying each connection. ES-HyperNEAT automatically discovers where to place hidden nodes by examining CPPN output patterns: it recursively subdivides space using a quadtree, expanding regions where CPPN outputs show high variance. This adaptive approach discovers network topology without manual substrate specification, extending the fixed-grid HyperNEAT framework built on NEAT. However, the quadtree resists tensorization. Each depth level depends on the parent's variance, forcing sequential evaluation. Different CPPNs produce different subdivision patterns, preventing batching. And variable leaf counts are incompatible with JAX's static shape requirement for JIT compilation. Our prior work confirmed these limits at depths exceeding 5, and a JAX reimplementation of the quadtree yielded only marginal speedup despite batched optimizations, motivating the eager reformulation presented here. We present EMR-HyperNEAT, which evaluates all positions at all resolutions up front, then filters using the same variance criterion: ES-HyperNEAT's subdivide_if(var > $\theta$) becomes eval_all(); filter(var > $\theta$). This performs more CPPN queries than necessary, but all queries become independent and parallelizable across both cores and population members, reducing complexity from \BigO($4^D$) to \BigO($4^D/P$) across $P$ parallel cores. Recurrent substrate configurations become feasible through a connection type taxonomy. The experiments section validates 12-34$\times$ on-device GPU speedup on XOR at depths 5-7, and empirically higher solve rates across benchmarks.
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All authors Romain Claret, Michael O'Neill, Paul Cotofrei, Kilian Stoffel

Machine Learning · Cross-listed from cond-mat.mtrl-sci

Physics-informed learning for the inverse problem in resonant ultrasound spectroscopy

Inferring elastic constants from resonant ultrasound spectra is a nonlinear and typically overdetermined inverse problem based on finite spectral data. We formulate the Rayleigh-Ritz inverse problem as a constrained inverse-isospectral problem on the set of physically admissible elasticity tensors. This induces effective low-dimensional variables for the inverse map on the admissible elasticity manifold: length and elastic scales, aspect-ratio coordinates, scale-free spectral features, and stability-respecting elastic ratios. We use these variables to construct a physics-informed learning pipeline in which a regression model acts only on reduced spectral and geometric features, while scale recovery and final elastic-constant reconstruction are imposed analytically. For the full cubic benchmark, the reconstructed constants have MAE values of $20.37(35.15)$, $24.30(41.33)$, and $2.13(3.66)~\mathrm{GPa}$ for $C_{11}$, $C_{12}$, and $C_{44}$. In the fixed-geometry benchmark, the corresponding cubic MAPE values are $4.14(3.87)\%$, $8.31(8.50)\%$, and $2.44(2.86)\%$, while the isotropic values are $4.0(3.6)\%$ and $0.4(0.3)\%$ for the bulk and shear moduli. The inverse problem then becomes a constrained regression problem in variables adapted to the geometry, scaling, crystal symmetry, and thermodynamic stability of Hookean elasticity.
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Machine Learning · Cross-listed from physics.plasm-ph

Towards Large-Scale Heterogeneous Data Organization for Scientific Foundation Models: A Nuclear Fusion Case Study

Training effective foundation models requires massive and organized datasets, yet scientific domains such as nuclear fusion present unique challenges due to largely heterogeneous and sparse data. Here we characterize the data used in developing such a model: with over 20 sensor types spanning 5 orders of magnitude in sampling rate, mixed tensor structures (point measurements, spectrograms, images), and nonstationary physics. We analyze our input complexity and discuss trade-offs between temporal context and frequency resolution. Our analysis provides a template for representing multi-modal fluctuation data at scale, with implications for both multi-modal control systems and nuclear fusion.
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All authors Nathaniel Chen, Kouroche Bouchiat, Peter Steiner, Azarakhsh Jalalvand, SangKyeun Kim, Egemen Kolemen

Machine Learning

Self-Explainable Multi-Label Graph Neural Network for Correlated Evidence Attribution

Multi-label graph learning intends to capture the intrinsic complexity of real-world applications, where one sample is often related to multiple groups or consists of multiple objects. To date, a handful of multi-label graph learning methods exist, but none of them integrate training-time interpretation capability. While post-hoc graph explainers have been developed, they do not explicitly model label-dependent evidence sharing in multi-label graph learners, especially when label pairs are weakly or negatively associated. As a result, post-hoc approaches may miss how evidence should be shared or separated across different labels. This paper advances a new end-to-end self-explainable multi-label graph neural network (SEMGNN), which aims to simultaneously classify multi-labeled nodes and identify edges significantly contributing to each target node w.r.t. predicted labels. Different from post-hoc methods, SEMGNN jointly learns a predictor and a sparse edge-mask explainer within a unified framework and training objective. Label-label correlations are used to improve multi-label node classification and enhance individual label explanations, so that different labels of a node can be supported by distinct yet coherent structural and/or correlated evidence. Experiments and comparisons on synthetic and real-world multi-label networks, in social networking, entertainment, and life sciences, show that SEMGNN achieves competitive or improved predictive performance while providing more faithful and compact label-conditioned explanations.
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All authors Yingqi Feng, Yufei Tang, Min Shi, Xingquan Zhu

Machine Learning · Cross-listed from stat.ML

Towards a mathematical theory of superposition

We develop a mathematical theory of superposition in neural networks using tools from frame theory and compressed sensing. In our model, a sparse binary vector \(x\) of active features is encoded through an overcomplete dictionary \(W\), and feature recovery is performed by applying \(\operatorname{ReLU}(W^\top W x+b)\) with an appropriate bias vector \(b\). We prove several recovery theorems for this model. In the random-support setting, we establish high-probability support recovery for nearly tight, low-coherence dictionaries, with guarantees when the expected sparsity is up to order \(d/\log n\). In the worst-case support setting, we give a sharp and computable criterion for which sparsity levels permit support recovery. We apply this criterion to Gaussian random matrices and equiangular tight frames. For real equiangular tight frames with \(n>d+1\), we determine the exact recovery threshold in terms of the coherence. The proof of this result for real equiangular tight frames relies on a novel characterization—which should be of independent interest to frame theorists—of the distribution of signs in the Gram matrix.
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All authors Michael I. Ivanitskiy, John Jasper, Emily J. King, Dustin G. Mixon

Machine Learning · Cross-listed from cond-mat.mtrl-sci

Ab initio Modeling of MoS2/Oxide Device Interfaces with Machine Learned Electronic Structures

We introduce a new ab initio approach to simulate semiconductor devices that integrates scalable machine-learned (ML) electronic structure models with an advanced quantum transport (QT) solver. The developed framework enables 10,000X speedups over density functional theory to produce the Hamiltonian matrix of devices made of >20,000 atoms, while offering high prediction accuracy. We use its unique features to investigate MoS2/oxide samples and single-layer MoS2 field-effect transistors, where the surrounding oxide layers, here, HfO2 or Al2O3, are explicitly included into the QT domain. In particular, we reveal that the presence of undercoordinated metal atoms (Hf or Al) close to the semiconductor-oxide interface significantly affects the magnitude of the electronic current and its propagation through MoS2.
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All authors Manasa Kaniselvan, Mauro Dossena, Denghui Lu, Alexander Maeder, Nicolas Vetsch, Alexandros Nikolaos Ziogas, Mathieu Luisier

Machine Learning

Dandelion: A Spherical Flower for Neural Simulation of Planetary Dynamics

Many dynamical processes unfold on the sphere but the default scientific machine learning architectures are Euclidean. Applying these architectures on a regular lat-lon grid causes problems: Cartesian convolutions become distorted at high latitude; 2D FFTs in Fourier neural operators incorrectly assume double periodicity; Cartesian positional encodings in ViTs distort spherical geodesic distances. Recent work moves towards natively spherical primitives, including spherical convolutions (e.g., DeepSphere or DISCO), Spherical Fourier Neural Operators (SFNOs), and geodesic attention. Here we propose Dandelion, a spherical version of Flower, a warp-based neural PDE solver. Layers of Dandelion predict a tangent-plane displacement and transport features along great circles. We obtain a U-Net-like structure by implementing hierarchical pooling entirely in the spherical-harmonic domain. There are thus no convolutions: spatial mixing is achieved only through spherical coordinate changes, or warps. To compare Dandelion with existing spherical architectures, we release an evolving benchmark suite of challenging, natively-spherical PDE datasets including a modified Galewsky jet, anomalous chained turbulence, Cahn-Hilliard decomposition, spherical Riemann shocks, Held-Suarez dry atmospheric transport and global ocean dynamics. This new benchmark fills the gap in existing spherical datasets which are either too small and stylized, or much too large (ERA5) for model iteration. Dandelion is best or second-best on every dataset, and the gap to non-warp baselines widens with resolution: at $256\times 512$, Dandelion and Flower2D occupy the top two slots in both single-step prediction and rollout.
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Machine Learning

When Muon Meets Task Interference: A Spectral Perspective on Continual Learning and Model Merging

Continual learning (CL) and model merging (MM) both aim to obtain a single model that performs well across multiple tasks, challenged respectively by catastrophic forgetting and weight-disentanglement error. In the literature, these difficulties are merely treated separately and mitigated through a variety of solutions, while the geometry induced by the base optimizer is treated as an implementation detail. In this work, we show that the two difficulties are in fact two instances of the same phenomenon: a parameter update useful for one task shifts the model's outputs on another. We formalize this shared phenomenon as task interference and reduce it to a common layer-wise Frobenius inner product $\langle \Delta W_\ell, J_\ell(x)\rangle_F$. This quantity, in turn, is utilized to expose the role of the optimizer. We theoretically derive an upper bound that isolates the spectral norm $\|\Delta W_\ell\|_2$ as an optimizer-controllable factor of task interference, and a per-mode analysis shows that this bound tracks the dominant part of the empirical interference. Specifically, we then identify the recent Muon optimizer as a mechanism that regulates this factor by construction. Our work reveals that its elegant control on spectral norm tightens the interference bound for both CL and MM, positioning Muon as a principled optimizer-centric approach complementary to existing solutions. Our theoretcal analysis is well validated by experimental results. Replacing the AdamW optimizer with Muon improves accuracy by up to +5.02 points on the eight-task model-merging benchmark across three CLIP backbones. For continual learning, Muon also delivers uniformly positive gains across ten class-incremental protocols, three task-incremental protocols, and the 11-task MTIL benchmark.
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All authors Shangge Liu, Yuehan Yin, Yinghuan Shi, Lei Wang, Wenbin Li

Machine Learning · Cross-listed from eess.IV

Destroy Me: Automatic Artifact Generation for Histopathology Images

Deep learning's diagnostic utility in pathology is constrained by model vulnerability to real-world data imperfections. While current strategies favor "perfect data" by filtering low-quality regions, which can lead to the loss of valuable diagnostic context, we propose a paradigm shift: engineering models to thrive in imperfect environments using "Destroy Me", a hybrid framework for realistic artifact synthesis and robust data augmentation. Our approach combines Stable Diffusion, fine-tuned to preserve morphological continuity by realistically integrating artifacts with the underlying tissue architecture, with physics-based procedural modeling to synthesize six common artifact types: tissue folds, precipitates, blur, stitching errors, dust, and pen markers. Artifact fidelity is assessed using Kernel Inception Distance (KID) and color Wasserstein distance metrics. Validating this strategy on lung adenocarcinoma pattern classification with an nnU-Net, we confirm that models trained on "destroyed" patches consistently outperform baselines on independent real-world datasets. Specifically, we observed a 10.5% relative improvement in macro F1-score and a 15% relative increase in the Cohen's Kappa ($\kappa$) coefficient. Crucially, our results demonstrate that selective, impact-weighted augmentation is vital for balancing practical robustness with the preservation of subtle diagnostic features.
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All authors Zuzanna Krawczyk-Borysiak, Adam Krawczyk, Mateusz Miller, Gabriela Kaczmarek, Sławomir Pakuło, Małgorzata Sokół, Żaneta Swiderska-Chadaj

Machine Learning

A Deeper Analysis of Block-Sparse Featurizers

The recently introduced block-sparse featurizer (BSF; Fel et al., 2026) is similar to a sparse autoencoder (SAE), but its atomic unit is a small subspace (a block of directions) rather than a single direction. It is designed for features that live on low-dimensional manifolds, which are especially frequent in vision. This work studies the BSF's strengths and weaknesses, finding how it still somewhat suffers from classic SAE failure modes, like feature splitting and composition. We propose several architectural changes to the BSF, including a Tournament Top-K selection rule that significantly reduces feature splitting, and we also extend the block paradigm to the crosscoder.
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Machine Learning

DAMP: Decay-Aware Mixed-Precision Recurrent-State Quantization

Complex reasoning and agentic applications increasingly rely on long-context inference, where growing KV caches increase both memory usage and decoding overhead. Hybrid models reduce these costs by combining Softmax Attention with Gated DeltaNet (GDN) or Kimi Delta Attention (KDA), which maintain fixed-size recurrent states. These states are commonly stored in FP32 and consume substantial GPU memory, while their updates are limited by memory bandwidth. Quantization can reduce both storage footprint and memory traffic, but we find that uniform INT8 and FP8 degrade complex reasoning accuracy, while INT4 and NVFP4 collapse it to near zero. To our knowledge, this is the first study of post-training recurrent-state quantization for GDN and KDA. Our analysis reveals that outliers in GDN and KDA states are concentrated in particular key channels and value dimensions. Learned decay influences how much quantization error is retained. We find that largely the same GDN heads and KDA key channels exhibit slow decay across tasks. Based on these insights, we propose DAMP, which jointly considers quantization error and decay-based error retention to select high-risk key channels offline. Under a fixed storage budget, it retains these channels in FP16 and stores the remainder in INT8. We evaluate DAMP on Qwen3.6-35B, Kimi-Linear-48B and Kimi-K3 across six reasoning and code generation benchmarks. At 9.9 bits per state value, DAMP maintains average accuracy close to FP32. In SGLang, DAMP reduces recurrent-state storage by 69.1%, accelerates the recurrent-state update kernel by up to 2.59x , and lowers full-model time per output token by up to 19.0%.
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All authors Tao Zhang, Jianchao Tan, Pingwei Sun, Yanqi Yu, Zunhai Su, Zixu Jiang, Yuchen Xie, Xunliang Cai, Ziqian Zeng

Machine Learning

Quantization-Triggered Backdoors in Language Models: Cross-Quantizer Transferability and the Validation–Deployment Gap

Post-training quantization is often treated as a semantically neutral optimization for edge deployment of Large Language Models. When a full-precision source checkpoint is evaluated and quantization is applied downstream without equivalent re-evaluation, this workflow creates a structural validation–deployment gap: because quantization is a many-to-one mapping over parameter space, source-precision certification does not guarantee behavioral equivalence in the deployed configuration. We formalize this gap through Quantization Behavioral Equivalence Classes (QBECs) and prove that QBEC membership does not imply behavioral equivalence, providing a theoretical basis for quantization-triggered backdoor attacks. Building on a three-stage adversarial fine-tuning framework, we embed latent malicious payloads into models that satisfy the source-precision checks used in our evaluation, yet activate targeted adversarial behavior upon INT8 or 4-bit compression. We evaluate this threat in two operationally motivated scenarios, tactical machine translation and political content analysis, extending prior work from decoder-only causal LMs to multilingual encoder-decoder sequence-to-sequence models. Results show that backdoored translation models move from zero measured friend–foe corruption at repaired FP16 to up to 85.02% inversion after quantization, and that a paired stance classifier measures an ideological shift of up to $\Delta\mathrm{Bias}=0.33$ upon compression. A cross-quantizer transferability analysis further shows that attack persistence varies across quantization schemes and model architectures, rather than being determined by nominal bit-width alone. These findings demonstrate that source-precision auditing alone does not rule out quantization-triggered behavior and that the final deployed configuration must be included in behavioral certification for trustworthy edge AI.
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All authors Jacopo Dardini, Claudio Stanzione, Giordano Colò, Giuseppe Fenza

Machine Learning · Cross-listed from cs.CL

How Do Linear Probes Emerge? A Circuit-Tracing Framework with Concept-Targeted Attribution

Transcoder attribution graphs are usually trained to explain why a model assigns high probability to a particular next token. We introduce Concept-Targeted Attribution (CTA), which instead trains attribution graphs with respect to a linear probe direction. CTA therefore yields probe-specific circuits that explain why an internal concept representation arises in a prompt, independently of whether it is expressed in the generated token. Using Cross-Layer Transcoders, we show that these probe-targeted graphs contain predictive structure: graph-level features predict probe accuracy across four widely studied concept categories ($\rho = 0.91$, $R^2 = 0.84$), while local features identify the sparse components driving per-prompt classification. This connects probe performance to interpretable circuit structure, allowing us to ask not only whether a probe works, but which internal computations make it work. Causal ablations further show that probe-targeted and logit-targeted graphs capture functionally distinct mechanisms. Removing probe-relevant features reduces internal concept scores while largely preserving generated tokens, whereas removing logit-relevant features changes the generated token in 92% to 100% of cases with near-zero effect on probe scores. CTA provides a framework for moving from behavioral probe accuracy to mechanistic explanations of probe performance, enabling more detailed audits of internal concept representations, including safety-critical ones. Our code is available at https://github.com/vedantpalit/concept-targeted-attribution
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All authors Vedant Palit, Florent Draye, Terry Jingchen Zhang, Bernhard Schölkopf, Zhijing Jin

Machine Learning

Marginal Coverage Credit Reduces Redundant Exploration in Parallel State-Entropy Optimization

Policy Gradient for Parallel State Entropy maximization (PGPSE) expands state-space coverage by training independently parameterized policies in replicated copies of the same environment. However, its pooled team-entropy score measures only collective exploration and cannot identify policies that contribute non-redundant coverage. We introduce Marginal Coverage Credit for PGPSE (MCC-PGPSE), which combines leave-one-policy-out coverage with state-owner specialization to estimate policy-specific credit. MCC-PGPSE preserves PGPSE's pooled objective and redistributes non-negative auxiliary intrinsic rewards according to these credits without changing their total mass. This redistribution is designed to discourage redundant visitation and promote complementary coverage. We evaluated MCC-PGPSE in controlled environments, seven public discrete-state benchmarks, and representative Room and Maze settings from the original PGPSE protocol. Across all tested settings, MCC-PGPSE produced positive final window gains in normalized team state entropy and state support over the Entropy baseline. Controlled-task comparisons and the fixed-suite public aggregate were significant, whereas five-seed original-protocol comparisons were directionally consistent. Ablations and credit alignment controls indicate that most gains arise from leave-one-policy-out coverage rather than non-uniform weighting, mismatched credit, or neural novelty alone. These results support contribution-conditioned auxiliary reward allocation as an interpretable approach to improving complementary coverage among parallel policies in discrete state spaces.
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All authors Junhao Cao, Hongyi Xia, Jianian Wu, Xiaopeng Yi, Lixia Huang, Ping Guo

Machine Learning · Cross-listed from stat.ML

Optimal Transport for Network Comparison: A Unified Review with New Spectral Bounds and Machine Learning Applications

Network comparison using optimal transport is a growing area of research in network science. Unlike standard graph metrics, optimal transport computes both network dissimilarity and a transport plan that explains how one graph morphs into another. In this paper, we review how optimal transport compares undirected, unweighted simple graphs using three primary distances: the Wasserstein, Gromov-Wasserstein, and Bures-Wasserstein distances. We examine the closed form of the Wasserstein distance in one dimension via node feature probability distributions, and show how the transport plans of the Wasserstein and Gromov-Wasserstein distances visualize how mass is shifted to transform one network into another. Beyond reviewing existing transport-based approaches, we establish new spectral lower and upper bounds for the Bures-Wasserstein distance and characterize the tightness of the lower bound under eigenbasis perturbations. Finally, we evaluate these distances using a synthetic network dataset for clustering and a real-world temporal network.
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Machine Learning · Cross-listed from cs.AI

Learning a Continuous Sepsis Severity Score Without Hour-by-Hour Supervision: A Two-Site Retrospective Study

Currently used sepsis severity indices rely on fixed variables and weights established decades ago, which are coarsely discretized and calibrated to a cohort that no longer reflects contemporary critical care. No alternative learned directly from patient trajectories is in routine use. We conducted a retrospective two-cohort study on a total of 29,116 and 7,691 adult patients meeting Sepsis-3 criteria from two hospital systems in Massachusetts and Georgie, respectively. We developed a sepsis index using 43 routinely charted variables over a 72-hour treatment window. Unlike previous studies, we use mortality as a treatment-level ranking signal rather than a per-state target, allowing credit to be redistributed non-uniformly across timesteps. Evaluation was done on a permanent 20% test holdout, using clinical vignettes and Spearman correlation. Uncertainty intervals were obtained by bootstrap resampling of whole patients. Under this ranking scheme, non-survivors scored 1.19-1.64 points higher than survivors on a 0-10 scale within all strata of baseline SOFA-2, with similar results stratifying within lactate, mean arterial pressure (MAP), and creatinine. Within-patient change in the index correlated with change in lactate (Spearman rho = 0.39; n = 1,854). Similar, weaker correlations were found for MAP and creatinine. On a cohort level, cross-institutional agreement measured by Spearman correlation between models trained on different sites, were 70-77% of same-site correlation. External within-patient correlations were 0.54 and 0.59 against ceilings of 0.92 and 0.90. Our index also correlated with established indices, while null controls stayed near zero. Our index demonstrated hourly prognostic information that meaningfully separates patient outcomes and is consistent with clinical expectation, indicating potential as a decision support tool complementing clinical judgement.
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All authors Kevin Zhu, Ryan Zhang, Baraa Abed, Tilendra Choudhary, Malvern Madondo, Mehak Arora, Yixuan Yang, Alasdair Gent, Aditya Nagori, Omer T. Inan, Krista L. Haines, Patrick Georgoff, Suresh M. Agarwal, Vijay Krishnamoorthy, Tetsu Ohnuma, Mihai V. Podgoreanu, Michael R. Pinsky, Gilles Clermont, Craig M. Coopersmith, Craig S. Jabaley, Rishikesan Kamaleswaran

Machine Learning · Cross-listed from cs.IR

Scaling Graph Neural Networks for Friend Recommendation: Multi-Hash User Embeddings and Temporal Neighbor Sampling

Friend recommendation is inherently graph-structured: the relevance of a potential connection depends on multi-hop social context rather than user attributes alone. However, deploying message-passing GNNs on a production-scale social graph with hundreds of millions of users and tens of billions of edges requires addressing numerous modeling and systems challenges. We present a scalable end-to-end GNN ranking system for production social graphs, focusing on two design choices that are critical in this setting: multi-hash ID embeddings and temporal neighbor sampling. Multi-hash embeddings are common for high-cardinality features, but industrial GNN systems typically either ignore trainable IDs or accept full embedding tables, exceeding 200 GB for our graph. We integrate multi-hash as the primary node representation, reducing the ID-embedding table size by more than 98 percent while preserving ranking quality. Temporal neighbor sampling is well understood in principle, but existing implementations scan full adjacency lists, which is a non-starter for users with tens of thousands of friends. We implement timestamp-sorted CSR storage with binary search, reducing the per-node temporal sampling cost from $O(deg(v) + k)$ to $O(\log(deg(v)) + k)$. Beyond these components, we show that this combination scales and yields measurable production impact. On a graph with 194M users and 28B edges, offline ablations isolate each design choice's contribution. In an online A/B test, our system increases friend additions from recommendations by 16 percent and unique friend adders by 11.5 percent over a strong production baseline. We release our framework for distributed training and inference on large temporal graphs.
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