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Thursday 30 July

Machine Learning

Kohn-Sham Spectral Embedding on Sparse Graphs at the Nishimori Temperature for Image Classification

We propose Kohn-Sham Spectral Embedding (KSSE), an energy-based model replacing the top-layer classifier of convolutional networks with a sparse-graph spectral embedding at the Nishimori temperature of an associated Random-Bond Ising Model the spectral detectability threshold where class structure becomes marginally distinguishable from disorder. Mapping pre-trained features onto quasi-cyclic low-density parity-check graphs, we construct a regularized Laplacian (Bethe-Hessian) as an effective Kohn-Sham Hamiltonian, yielding D independent spectral problems-one per feature channel-solvable in $O(N log N + k_{mode}^{2} N)$ time by FFT on circulant blocks (Pontryagin self-duality), with low-mode Rayleigh-Ritz refinement ($k_{mode}=5$). Physically, this is a k.p effective-mass reduction on a one-dimensional ring crystal: the circulant support is the perfect crystal, the data weights a slowly varying impurity potential, and the Nishimori crossing a Fermi level at the band edge. Star-domain surgery optimizes the graph: instead of eliminating all frustrated cycles impossible without destroying the codewords-edge shifts create certified convexity around codewords with bounded residual frustration, with multi-scale fractal certification (basins $D_{2}<1$ vs rough landscapes $D_{2}>3$). The theory includes a generalized Ihara-Bass identity with a sharp spectral threshold, a non-backtracking growth trichotomy with frustration as a gauge-invariant $Z_{2}$ flux, a trapping-set spectral test, exact channel separability with a cup-product obstruction, plus loop-series, convexity, surgery, and quasi-stationarity bounds. On ImageNet-1000 with frozen EfficientNet-B4 features (D=1792) under a transductive protocol, KSSE achieves 88.93% Top-1 accuracy with ~21.24M parameters-beating Swin-L (197M, 86.4-87.3%) and matching the lower end of ViT-H/14 (632M, 88.0-89.5%) with 10x and 30x fewer parameters.
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Machine Learning · Cross-listed from cs.CV

Negative controls reveal volume-driven confounding in radiomics and imaging foundation model features

Radiomics and imaging foundation models promise non-invasive biomarkers of tumour biology, yet predictive signatures may reflect tumour volume or acquisition artifacts rather than meaningful image structure. We introduce READII-2-ROQC, an open-source framework that uses volume-preserving negative controls to assess whether radiomic and deep imaging features capture independent spatial signals. READII-2-ROQC generates voxel-perturbed images across tumour, background and whole-image regions using configurable randomization strategies, then compares feature behaviour and model performance between original and control images. Applied to three public cancer imaging cohorts, the framework processed 3,552 tumour volumes and extracted PyRadiomics and foundation-model features from original images and nine matched controls. Reproducing published survival and HPV-status signatures, we show that multiple models retain performance after spatial structure is destroyed, revealing volume-driven or contextual confounding, whereas others show perturbation-sensitive signal. READII-2-ROQC provides a scalable quality-control strategy for developing interpretable, biologically grounded imaging biomarkers and reproducible radiomics workflows.
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All authors Katy L. Scott, Sejin Kim, Joshua Siraj, Caryn Geady, Matthew Boccalon, Mattea Welch, Mogtaba Alim, Andrew J. Hope, Benjamin Haibe-Kains

Machine Learning

QAdapt: A Noise-Adaptive Neural Pre-Decoding Framework for Quantum Error Correction

Fault-tolerant quantum computing (FTQC) relies on quantum error correction to suppress physical errors and preserve logical information at scale. In practice, however, performance is constrained not only by physical noise but also by the latency of classical decoders processing rapidly generated syndrome data. This challenge is exacerbated by hardware noise that is strong, heterogeneous, and nonstationary, as well as by the simulation-to-hardware distribution shift that can substantially degrade fixed neural decoders. We present QAdapt, a noise-adaptive neural pre-decoding framework for surface-code quantum error correction. QAdapt captures local spatiotemporal correlations in syndrome data, sequentially adapts to evolving noise conditions while mitigating catastrophic forgetting, and forwards the residual syndrome to a conventional global decoder. Across 110 synthetic out-of-distribution noise configurations for rotated surface-code memory circuits, QAdapt consistently reduces the logical error rate relative to the neural pre-decoding baseline. On Google's Willow benchmark data, without target-domain fine-tuning, it achieves reductions of up to 5.79 percent in logical error rate and 9.32 percent in backend decoding latency on the residual syndrome. These results demonstrate that QAdapt provides a practical and decoder-compatible approach to improving the robustness and backend decoding efficiency of quantum error correction under evolving hardware noise.
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All authors Ran Miao, Rui Luo, Xiaohan Shan, Xiaoming Sun

Machine Learning · Cross-listed from cs.AI

WIDE: Boosting Adaptive LLM Inference via Token-level Dynamic Width Pruning

Pruning is a promising approach for improving the efficiency of large language models (LLMs). Static structured pruning is hardware-friendly, but its input-agnostic computation allocation often degrades model quality at high sparsity. Dynamic pruning adapts computation to individual tokens, but coarse-grained layer-level routing limits allocation flexibility, and finer-grained decisions introduce irregular execution that can offset computational savings. To address these challenges, we present WIDE, the first end-to-end differentiable framework that combines token-wise structured dynamic width pruning with GPU kernel co-design for both prefill and decoding. WIDE uses differentiable routers to select GQA-aligned query-head groups and GPU-tile-aligned FFN-channel groups for each token. To execute these decisions efficiently, it reorders routing masks to cluster active tokens within each group, enabling hardware-agnostic block-level skipping and architecture-aware skipping of inactive loads and tensor-core operations. Experiments on the Llama3 and Qwen3 families demonstrate improved quality retention over representative static and dynamic pruning methods. At 50% target routing sparsity, WIDE improves Llama3.1-8B average zero-shot accuracy by up to 20.26 points over the strongest dynamic-depth baseline under calibration-only settings, while retaining 97.6%/88.2% of dense Qwen3-14B likelihood/generation performance after LoRA tuning. Separate latency benchmarks demonstrate end-to-end speedups of up to $1.68\times$ for prefill and $1.55\times$ for decoding over the dense baseline. These results demonstrate that pruning–kernel co-design pushes the frontier of token-wise dynamic structured pruning, combining improved quality retention with practical acceleration across both prefill and decoding. Our code is avaliable at \url{https://github.com/EIT-NLP/LLM-Pruning/tree/main/WIDE}.
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All authors Haozhe Hu, Hao Wu, Peiran Yin, Chao Han, Yunpu Ma, Xiaoyu Shen

Machine Learning

QQWorld: Quantile-Quantile Matching for World Model Regularization

Latent world models enable efficient planning by predicting future states in a compact representation space, but their performance depends critically on the quality of the learned latent distribution. LeWorldModel (LeWM) regularizes its latents toward an isotropic Gaussian using the Epps-Pulley (EP) objective. We show that the corrective gradients of EP rapidly vanish for isolated tail samples, leaving heavy-tailed deviations insufficiently controlled. To address this limitation, we propose QQWorld, which replaces EP with a quantile-quantile matching objective that directly aligns projected latent samples with rank-matched Gaussian quantiles, thereby maintaining effective corrective gradients in the tails. We further develop cross-batch QQ, which enlarges the effective ranking pool using detached samples from previous batches, and characterize its bias-variance trade-off. Across four control environments, QQWorld effectively improves the average planning success rate of LeWM, while consistently yielding better Gaussian alignment and thinner latent tails.
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Machine Learning · Cross-listed from math.NA

Windowed thinning and query complexity for the bouncy particle and Zigzag samplers

Let $\mu(d x)\propto e^{-U(x)} d x$ on $\R^d$, where $U$ is $m$-strongly convex and $L$-smooth, and denote by $\kappa=L/m$ the condition number. We consider windowed thinning, an exact simulation method for the bouncy particle sampler and the coordinate Zigzag process. The method divides a trajectory into deterministic windows and uses a gradient evaluation at the beginning of each window to construct a tractable local envelope for the event rate. Combining this construction with quantitative mixing estimates and finite-time bounds on the expected numbers of bounces and flips yields query complexity guarantees from a Gaussian cold start. For total-variation error $\varepsilon$, the expected query counts are $O(\kappa^{1/2}d\,(d\log\kappa+\log\frac1\varepsilon))$ gradient queries for the bouncy particle sampler and $O(\kappa d^{1/4}(d\log\kappa+\log\frac1\varepsilon))$ full-gradient equivalents for Zigzag, where $d$ coordinate-partial queries count as one equivalent.
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Machine Learning

On-Policy and Off-Policy Learning for Large Action Spaces

This thesis studies policy learning in interactive systems where an agent observes a context, selects an action from a very large set, and receives partial feedback. The main framework is contextual bandits, with two paradigms: on-policy learning, where the agent interacts sequentially with the environment and minimizes regret, and off-policy learning, where it learns from logged data collected by a logging policy. In large action spaces, both settings face major challenges: inefficient exploration, sparse data coverage, high-variance importance weights, extrapolation bias, and difficult optimization landscapes. The first part develops structured Bayesian methods for on-policy learning. We introduce meTS, a mixed-effect extension of Thompson sampling, and dTS, which leverages diffusion-inspired priors to model dependencies between actions. These methods share information across actions and yield regret guarantees depending on an effective number of actions. The second part addresses off-policy learning. We propose sDM, a structured direct method based on latent variables, show that optimization error can dominate estimation error in large action spaces, and introduce concave, efficiently optimizable policy-weighted log-likelihood objectives. Finally, we develop differentiable pessimistic methods based on exponential smoothing and PAC-Bayesian bounds to control the bias-variance trade-off of regularized importance-sampling estimators.
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Machine Learning · Cross-listed from cs.AI

QuantWAMs: Calibrating at the Right Granularity for World Action Models

World Action Models (WAMs) jointly predict future observations and actions, but their iterative denoising and closed-loop execution make efficient deployment costly. Existing post-training quantization (PTQ) methods are poorly suited to WAMs because they rely on open-loop objectives, homogeneous model assumptions, and calibration distributions that do not reflect deployment. We present QuantWAMs, a PTQ framework that aligns quantization decisions with the calibration context defined by model structure, rollout distribution, and task objective. QuantWAMs introduces three strategies: shared-basis outlier calibration, which pools activation evidence only across coordinate-compatible modules; co-training-objective saliency, which computes empirical-Fisher scores from the joint video–action gradient and assigns weight precision at a calibration-stable layer granularity; and fixed-intervention rollout auditing, which revises denoising-step protection schedules using reachable closed-loop states without changing the precision budget. We evaluate QuantWAMs on Fast-WAM and LingBot-VA across RoboTwin 2.0, LIBERO, and real-robot manipulation with an AgiBot G2. Under a W4A4-dominant setting, the reported simulation means differ from FP16 by 0.2–0.7 percentage points. Real-robot trials further establish deployment feasibility on three manipulation tasks. For the targeted video and action blocks, QuantWAMs reduces peak weight-and-activation memory to about 29% of FP16 and provides 1.4–1.6$\times$ block-level speedups.
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All authors Jiacheng Zhou, Jinfan Lv, Ruixuan Li, Longtai Zhang, Yan Wang, Wenqiang Zhang, Lizhe Qi

Machine Learning

Why Are GUI Agents Correct but Late? Decode on the Decision-Time Critical Path, Tested with Pre-Compiled Policy Trees

Computer-use agents often fail on transient GUI events because they produce the correct action only after the relevant window has already closed. We identify the main cause as expensive autoregressive decoding on the decision-time critical path. We propose Adaptive Anticipatory Policy Trees (AAPT), which eliminates this delay without modifying the underlying model. During idle screen periods, the same frozen multimodal model constructs a bounded conditional policy tree with observable guards, pre-authorized actions, and branch-specific deadlines. The tree is sized to cover the model's own decoding latency. When an event occurs, a lightweight observer matches change-gated frames to a prepared branch and immediately executes the corresponding action without generating new text. In paired trials with pre-registered endpoints and exact McNemar tests, AAPT improves the success rate from 0.50 to 0.79 within a contested decision window ($p=1.8\times10^{-3}$), while producing no incorrect actions. Both open-loop and predict-and-replan baselines achieve zero success because they still decode during execution. A preparation-time sweep shows that the gain emerges where the latency-based tree-sizing rule predicts, and ablations reveal three key requirements: fast observer decoding, valid tree planning, and accurate branch routing. A pre-registered oracle probe rejects our initial hypothesis and instead points to branch routing as the causal bottleneck. We further reproduce the effect on an independent general-purpose multimodal model over 126 paired trials ($p=4.9\times10^{-13}$). On an external benchmark, AAPT matches the overall performance of a reactive baseline, although the two methods exhibit complementary strengths. Together, these results suggest that AAPT performs best when candidate actions can be enumerated in advance, whereas reactive execution remains stronger when they cannot.
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All authors Zihan Dong, Rui Qian, Qishi Zhan, Dongshen Peng, Kaixin Li, Yu Li

Machine Learning

Hierarchical Multilevel Monte Carlo for Order-Optimal Neural Actor-Critic in Average-Reward CMDPs

Constrained Markov Decision Processes (CMDPs) provide a natural framework for reinforcement learning in safety-critical applications, where agents maximize long-term reward while satisfying long-term constraints. Although primal-dual actor-critic methods with linear critics are well understood, extending order-optimal convergence guarantees to neural critics in average-reward CMDPs has remained open. The main challenge is a fundamental bias-cost trade-off in neural critic estimation: under Neural Tangent Kernel (NTK) analysis, reducing critic bias substantially increases critic optimization cost, preventing order-optimal convergence in the primal-dual framework. We resolve this bottleneck by introducing a hierarchical Multilevel Monte Carlo (MLMC) neural critic that performs debiasing simultaneously across trajectory sampling and critic optimization. The resulting estimator attains the bias of a long critic optimization run with only logarithmic expected sample cost. Building on this estimator, we develop a primal-dual Natural Actor-Critic algorithm that achieves both an optimality gap and a constraint violation of order $\tilde{O}(T^{-1/2})$. This establishes the first order-optimal convergence guarantees for infinite-horizon average-reward CMDPs with general policy parameterization and neural critics, while eliminating the need to know the underlying mixing time. Our results are novel even in the unconstrained setting.
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Machine Learning

LEDGERMIND: Provenance-Constrained Multimodal Agentic Reasoning with a Structured Evidence Ledger

Multimodal agents for visual question answering increasingly operate as multi-step trajectories that interleave perception, retrieval, and reasoning, yet evaluation still largely reduces to final-answer accuracy. This aggregate signal cannot tell whether a correct answer was reached through grounded evidence, language priors, or accidental error cancellation. We propose to treat a multimodal agent trajectory as a provenance-constrained state machine: tool outputs are normalized into a Structured Evidence Ledger that serves as the trajectory state, downstream reasoning and decision claims may cite only active ledger entries, grounding is checked at the entity and numeric level, and repair is realized as typed state transitions that cannot introduce content without tool-produced provenance. We instantiate this design as LedgerMind (Provenance-Constrained Multimodal Agentic Reasoning with a Structured Evidence Ledger), augmented by a Three-Layer Grounding Protocol, an Adaptive Dual-Path Dispatcher that matches reasoning depth to question complexity, and an Event-Triggered Verification-and-Repair engine with a formal provenance non-amplification guarantee. We use LedgerMind to target four recurring failure patterns that final-answer accuracy tends to obscure: unsupported intermediate reasoning, citation-backed entity hallucination (Phantom Grounding), over-reasoning on simple queries, and repair-time amplification. Experiments across multiple multimodal reasoning benchmarks and backbone MLLMs show that LedgerMind improves both answer accuracy and trajectory-level faithfulness.
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All authors Enjun Du, Hange Zhou, Chenxu Du, Siyi Liu, Zirong Chen, Ziyu Zheng, Yongqi Zhang

Machine Learning · Cross-listed from cs.CV

ShadowDancer: Teaching Video World Models Any Action by Learning Unified Dynamics Representations from a Video and Its Shadow

We present ShadowDancer, a novel approach to any-action, frame-level control of interactive video world models. The obstacle is representational: existing interfaces either encode an action loosely, leaving how it unfolds for the model to improvise, or encode it exactly through structured signals that serve one family and are hard to acquire, so precise control across diverse dynamics remains impractical. Demonstration videos are the natural remedy, specifying any dynamics frame by frame; yet a video shows its dynamics only through one particular appearance, a single shadow of the underlying dynamics, so actions learned from demonstrations transfer poorly to new scenes. ShadowDancer addresses this with two key innovations: (1) shadow pairs, video pairs that replay the same dynamics under independently resampled appearance, constructed at scale by our Shadow Library, so that a dynamics family becomes controllable exactly when such pairs can be constructed for it; and (2) cross-shadow prediction, which learns actions by predicting one shadow from the other, so that whatever the pairing resamples is discarded by construction and whatever it preserves becomes the action, yielding a unified dynamics representation that drives a block-causal world model. Any demonstrated clip thus becomes a reusable action asset, replayed in new environments without action labels, motion estimators, or fine-tuning. Experiments demonstrate improved action transfer and long action rollout over strong latent-action and interactive world model baselines across diverse dynamics families, with an average blinded win rate of 86% in rollout comparisons. We show video results at https://ShadowDancer-1.github.io
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Machine Learning · Cross-listed from math.CA

Reflected diffusion, no-flux continuity equations and confined Lagrangian flows in bounded domains

Motivated by marginal distribution flows of reflected diffusions in bounded domains, we investigate when a density/flux pair solving a no-flux continuity equation admits a regular Lagrangian flow that remains in the closed domain and generates the prescribed density flow. We give sufficient conditions in terms of interior bounded-variation regularity, bounded-variation control on a boundary collar, a one-sided bound on an absolutely continuous divergence, and vanishing normal trace of the velocity. The proof uses the fact that tangency removes the singular boundary contribution to the divergence of the zero extension, thereby making the extended velocity admissible for the Ambrosio-DiPerna-Lions theory. We show that these boundary assumptions cannot be jointly relaxed so as to admit a boundary current mechanism. We construct an explicit smooth density/flux pair carrying a boundary current. Its density evolution is unique in a weighted class and its characteristics are unique, confined and transport the marginals, yet it admits no regular Lagrangian flow because the compressibility bound fails arbitrarily close to the initial time. We also establish two uniqueness results for no-flux Fokker-Planck equations: a duality result for bounded measurable drifts and a weighted energy result for entrance-type drifts singular at the boundary. Our results provide a rigorous mathematical justification for using the ODE-based sampling of reflected diffusion models under minimal regularity assumptions on the coefficients, and also indicate when such ODE-based samplers may fail.
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Machine Learning · Cross-listed from cs.GT

Learning to Persuade Privately Informed Receivers

Bayesian persuasion studies how an informed sender can influence the behavior of a receiver through strategic information disclosure. Standard models assume the sender is the receiver's only source of information, yet in many applications receivers also consult external sources the sender can neither observe nor control. We study an online Bayesian persuasion problem in which a binary-action receiver has access to a fixed signaling scheme that is unknown to the sender. Over $T$ rounds, the sender commits to a signaling scheme and sends a signal; the receiver combines it with its private signal and acts, while the sender observes only the action. We design a learning algorithm that achieves regret $\widetilde{O}(T^{3/4})$ relative to the optimal scheme of a sender who knows the private signaling scheme of the receiver, with polynomial dependence on the sizes of the state space and the receiver's signal alphabet. Our key insight is reducing the problem of learning the exponentially large belief-space partitioning induced by the private scheme to a one-dimensional change-point detection problem.
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Machine Learning

Encryption-Compatible Clustered Federated Learning via Distributed Expectation-Maximization over Metadata

Clustered Federated Learning (CFL) addresses data heterogeneity in federated settings by grouping clients with similar data distributions to enable effective training. Existing methods face a trade-off between privacy preservation, communication cost, and computational efficiency. We formalize this as the CFL trilemma, according to which improving two of these dimensions comes at the expense of the third. A prominent paradigm relies on metadata (i.e., low-dimensional representations of client datasets shared with the server) to enable communication- and computation-efficient clustering. However, such approaches are not compatible with standard FL privacy-preserving mechanisms. To address this limitation, we propose FLAMECHE, which reformulates metadata-based CFL as a distributed Expectation-Maximization (EM) procedure, restricting server updates to additive operations while preserving efficiency. This design enables compatibility with practical secure FL schemes. We conducted extensive experiments on multiple datasets under various heterogeneous scenarios. Results show that FLAMECHE improves the effectiveness of client models. It enables encryption-compatible metadata-based clustering, enhancing its positioning within the CFL trilemma.
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All authors Michael Ben Ali, Imen Megdiche, André Péninou, Olivier Teste

Machine Learning

Measuring Distortion in the Empty Regions of Dimensionality Reduction Scatterplots with the Gap Index

Quality metrics play a crucial role in the proper use of dimensionality reduction projections for visual analysis of high-dimensional data. They quantify the degree of distortion of a projection compared to the high-dimensional data and provide a reliable indication of how confident users can be in the structures they see in the resulting layouts. However, most popular metrics focus on capturing direct relationships between points (e.g., distances or neighborhoods) while neglecting distortions in empty areas of the layout, even though these often compose visually relevant features of a 2D layout. In this paper, we introduce the Gap Index (GI), a quality metric for 2D projections that captures visual distortion by measuring spatial distortion in empty areas of a projection. It does so by decomposing the space into empty triangles, which are then compared to their high-dimensional counterparts to compute the deformation. This per-triangle deformation can be aggregated into a single scalar value or overlaid on a projection to visualize regional distortion patterns. Results show that, contrary to popular quality metrics, the GI is sensitive to small structural deformations that have high visual impact. It is also fast to compute and interpretable.
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Machine Learning · Cross-listed from cs.CL

Fairness Pruning: Locating Demographic Bias in GLU-MLP Layers via Differential Activations

This work presents Fairness Pruning, a lightweight structural intervention method designed for the management and future mitigation of demographic bias in large language models (LLMs). As a foundational empirical validation of this method, this work focuses on causal bias localization. Using minimally contrastive prompt pairs and inference-time activation capture, the method identifies neurons that react differentially when processing demographic attributes in GLU architectures, evaluating the signal at the down_proj input. Empirical evaluation was conducted on models of up to 3 billion parameters (Llama-3.2 family and Salamandra-2B), combining standardized benchmark evaluation with qualitative text generation experiments. Results demonstrate that zeroing the identified neurons alters how the model responds to associated demographic variables. However, rather than producing flat mitigation, the intervention causes bidirectional bias destabilization: because BiasScore is unsigned, candidate sets mix neurons that push toward and against the stereotype, and the net effect on aggregate bias depends on which sign dominates. The intervention is extremely surgical: zeroing at most 40 neurons in Llama-3.2-1B (less than 0.031% of total MLP width) achieves a mean retention of 99.49% in reasoning and general knowledge capabilities. These findings empirically confirm that demographic bias processing and model capabilities operate on dissociable circuits, establishing the methodological foundations for transitioning from blind zeroing toward directional behavior modulation.
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Machine Learning · Cross-listed from cs.DB

Fully Inductive Cardinality Estimation

Query optimization of Basic Graph Patterns (BGP) SPARQL queries over Knowledge Graphs (KG) requires accurate cardinality estimation. Recently published learned estimators outperform statistics- and sampling-based approaches, but share a limitation preventing their adoption in real-world triplestores: they are transductive and require retraining when the underlying graph changes or when applied to new graphs. We present FICE (Fully Inductive Cardinality Estimation), the first learned cardinality estimator for BGP queries over KGs that generalizes to entirely unseen graphs (including unseen relations), without any retraining. FICE is a graph neural network (GNN) with two coupled components. First, an encoder GNN over a factor-graph view of the KG produces entity and relation embeddings. We prove that BGP cardinality is a local function of the 2-hop neighborhood around bound terms in this view, motivating the local message-passing encoder. A decoder GNN then composes these embeddings along the join topology of the query to predict log-cardinality. The encoder and decoder are trained jointly, making the embeddings specialized for cardinality estimation. FICE is trained using neighborhood sampling to scale to KGs with millions of triples, and decouples embedding generation from cardinality decoding to enable estimation latency below a millisecond. Compared to learned and non-learned baselines over 10 KGs, FICE reduces the overall median q-error from 13.54 (for the best competitor) to 5.34 and dominates all approaches in tail behavior.
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Machine Learning

Beyond Geometric Complementarity: Coherent Overlap in Sparse Mixture-of-Experts Routing

Sparse mixture-of-experts (MoE) language models route each token to multiple experts, suggesting a geometric account of their benefit: co-selected experts should contribute distinct representation directions. Existing evidence often conflates route coherence, candidate quality, and candidate-by-context interaction. We distinguish these quantities using an Expert Subspace Separation Index (ESSI), matched-route residuals, and a prefix-controlled $2\times2$ factorial; frozen-route interventions and a controlled Top-$k$ study assess functional value. Three paired contrasts organize the findings. First, across six MoE architectures, expert subspaces overlap substantially, yet actual routes explain token representations better than matched alternatives. Second, across the 39 factorial cells in OLMoE, Mixtral, and DeepSeek, the selected candidate explains more of the residual representation than the strongest unselected rival in every cell, yet the actual prefix narrows this advantage throughout: all interactions are negative, and every 95% confidence interval lies below zero. Third, this geometric narrowing does not imply functional redundancy: adding later experts improves next-token prediction in 24 of 39 frozen-route comparisons, while the other 15 estimates are inconclusive; a controlled training study also favors Top-2 over Top-1 in all three seeds. We call this joint pattern coherent overlap: routing selects token-relevant experts from a shared geometric neighborhood, while useful multi-expert computation persists without disjoint linear coverage. Separating these quantities clarifies why geometric similarity alone cannot determine redundancy or pruning value.
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Machine Learning · Cross-listed from physics.geo-ph

A Distributed Acoustic Sensing Dataset for Vessel Detection and Localization in Submarine Cable Protection

Recent incidents of accidental damage and suspected sabotage to submarine telecommunication and power cables, particularly in the Baltic Sea, have underscored their vulnerability and the need for continuous monitoring solutions. Distributed acoustic sensing (DAS) applied to submarine optical-fiber cables enables wide-area monitoring of underwater acoustic activity. We present the Marlinks-NS DAS dataset, comprising processed submarine DAS measurements and AIS-derived vessel information curated for cable-protection research. The dataset defines two machine-learning tasks (vessel detection and vessel-to-cable distance estimation) allowing reproducible research under realistic marine conditions. The dataset contains 74,771 labeled data instances from ten days of continuous recording along a 2,554 m segment in a 28 km buried fiber-optic cable in the North Sea. Each instance includes spectral-energy features from 250 sensing channels, together with anonymized distance measurements and metadata from AIS information. The released HDF5 data, documentation, processing description, and example code support reproducible development and evaluation of DAS-based vessel-monitoring methods for submarine cable protection.
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All authors Erick Eduardo Ramirez-Torres, Javier Macias-Guarasa, Daniel Pizarro, Javier Tejedor, Sira Elena Palazuelos-Cagigas, Pedro J. Vidal-Moreno, María R. Fernández-Ruiz, Sonia Martin-Lopez, Miguel Gonzalez-Herraez, Roel Vanthillo

Machine Learning

Semi-Supervised Learning for Molecular Graphs via Ensemble Consensus

Machine learning is transforming molecular sciences by accelerating property prediction, simulation, and the discovery of new molecules and materials. Acquiring labeled data in these domains is often costly and time-consuming, whereas large collections of unlabeled molecular data are readily available. Standard semi-supervised learning methods often rely on label-preserving augmentations, which are challenging to design in the molecular domain, where minor changes can drastically alter properties. In this work, we show that semi-supervised methods that rely on an ensemble consensus can boost predictive accuracy across a diverse range of molecular datasets, task types, and graph neural network architectures. We find that training with an ensemble consensus objective increases robustness in models and exhibits an effect similar to knowledge distillation; an individual member of an ensemble trained this way outperforms a full ensemble trained in a traditional supervised fashion in almost all cases. In addition, this type of semi-supervised training reduces calibration error.
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All authors Rasmus Tirsgaard, Laurits Fredsgaard, Marisa Wodrich, Mikkel Jordahn, Mikkel N. Schmidt

Machine Learning

HARGO: Heterogeneity-Aware Reward-Guided Optimization for RL Post-Training of LLMs on HPC Tasks

Supervised fine-tuning (SFT) can equip large language models (LLMs) with domain knowledge for high-performance computing (HPC) tasks such as data race detection and benchmark question answering. However, knowledge alone does not guarantee task-appropriate behavior: the same SFT model that correctly classifies 88.65% of C/C++ data race samples produces verbose, imprecise answers to factual queries, with 65.9% of MLPerf responses exceeding 40 characters. Reinforcement learning (RL) post-training addresses this gap by optimizing for task-specific rewards rather than token-level imitation. Yet HPC tasks exhibit extreme heterogeneity, with binary classification, factual QA, and semantic generation differing by 58x in answer length, spanning three distinct reward distributions, and showing widely varying SFT accuracy. This makes uniform-weight RL methods such as GRPO suboptimal. We propose HARGO, Heterogeneity-Aware Reward-Guided Optimization, which introduces per-response importance weighting via confidence-modulated advantage: computing a discrimination signal from group-level reward contrast and a confidence signal from reference model log-probabilities, then modulating the advantage before computing per-response weights, without requiring task-type labels. Across four HPC tasks and nine methods, HARGO achieves the best performance on all three primary metrics: WinRate 54.62%, Data Race F1 91.30%, and PLP Similarity 0.8558. Ablation confirms complementary contributions from both signals. HARGO establishes the best overall alignment quality among compared methods for heterogeneous HPC tasks.
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Machine Learning · Cross-listed from cs.CV

Filling the Pareto-Optimal Front for Affordance Segmentation on Embedded Devices Using RGB-D Cameras

While depth sensors have the potential to complement RGB data for affordance segmentation in wearable robots, their usage seems to remain underexplored. The paper proposes two approaches: a reformulated version of hardware-aware neural architecture search, endowed with a newly designed search space to integrate depth (D) information into small-sized deep networks, and a dedicated fine-tuning approach, including a preprocessing layer to merge depth information with RGB data and make it compatible with conventional architectures. In both cases, those methods aim to generate solutions that benefit from modern (portable) hardware accelerators and overcome existing tiny-like approaches, which often fail to tackle critical scenarios due to the severe constraints set by the supporting hardware. Extensive experiments on a pair of real-world datasets demonstrate the effectiveness of the proposed method as compared with existing solutions. The approach presented in the paper generates, in most cases, solutions that identify the Pareto optimal front to balance generalization performance and hardware requirements. The paper also describes the supporting prototype, including a Jetson Nano board and a RealSense RGB-D camera. When considering the energy profile of the device, the overall system can attain real-time performances within an energy budget that is compatible with standard batteries, such as those used in smartphones.
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All authors Edoardo Ragusa, Giovanni Paolo Canuti, Simone Lugani, Rodolfo Zunino, Paolo Gastaldo

Machine Learning · Cross-listed from cs.CL

CACHE-UK: A Stability-Aware Memory Editor for Sequentially Updated Quantized LLMs in Finance

Large Language Models (LLMs) deployed in dynamic financial environments face a critical challenge: maintaining factual accuracy as market conditions, regulations, and corporate facts change continuously. While 4-bit quantization enables efficient deployment, it severely limits the viability of sequential memory editing: existing methods undergo catastrophic performance degradation under this "quantization stability crisis." We introduce CACHE-UK (Contextual Adaptive Continual Hybrid Editor for UK Finance), a stability-aware memory editing framework specifically designed for domain-specific, quantized LLMs. CACHE-UK integrates three components: a rank-1 LoRA perturbation mechanism that confines edits to the low-rank adapter subspace, a financial domain prioritization module for content-adaptive edit strength, and a closed-loop Stability Controller that tracks "degradation debt" to prevent catastrophic forgetting across sequential updates. Evaluated on a 4-bit quantized OpenLLaMA-3B model with a curated UK financial corpus of 88,021 documents, CACHE-UK reduces knowledge degradation by 11-17% relative to adapted baselines under identical 4-bit constraints – its most robust effect – while attaining the highest test success (generalization) rate observed in our setting (28%, a 6 percentage point improvement over the strongest adapted baseline). These results indicate that stability-aware editing can improve factual maintenance in resource-constrained financial LLM deployments, though absolute generalization rates remain low.
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Machine Learning · Cross-listed from cs.CL

(Towards) Scalable Reliable Automated Evaluation with Large Language Models

Evaluating the quality and relevance of textual outputs from Large Language Models (LLMs) remains challenging and resource-intensive. Existing automated metrics often fail to capture the complexity and variability inherent in LLM-generated outputs. Moreover, these metrics typically rely on explicit reference standards, limiting their use mostly to domains with objective benchmarks. This work introduces a novel evaluation framework designed to approximate expert-level assessments of LLM-generated content. The proposed method employs pairwise comparisons of outputs by multiple LLMs, reducing biases from individual models. An Elo rating system is used to generate stable and interpretable rankings. Adjustable agreement thresholds, from full unanimity to majority voting, allow flexible control over evaluation confidence and coverage. The method's effectiveness is demonstrated through evaluating competency profiles extracted from scientific abstracts. Preliminary results show that automatically derived rankings correlate well with expert judgments, significantly reducing the need for extensive human intervention. By offering a scalable, consistent, and domain-agnostic evaluation layer, the framework supports more efficient and reliable quality assessments of LLM outputs across diverse applications.
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Machine Learning · Cross-listed from cs.CL

MORFES: A Benchmark for Productive Inflectional Competence in Modern Greek

Modern Greek is a richly inflected language, yet the language models built for it are evaluated mainly on factual knowledge, and no benchmark is dedicated to their inflectional competence. We introduce MORFES (Morphological Open-class Recognition-and-Formation Evaluation Suite), a benchmark of 500 expert-verified items that tests the recognition and production of Greek inflected forms, favoring lower-frequency lemmas so that a correct answer reflects the rule rather than a memorized form. We make it publicly available at https://huggingface.co/datasets/KIEFERSA/MORFES. We evaluate a range of open language models on MORFES, situating them within the rapidly scaling open-weight ecosystem from LLaMA to Qwen3, DeepSeek-R1, Magistral, and Kimi K2, where multilingual coverage grows but grammatical competence in morphologically rich languages remains under-measured. Among them, Sophea-Genesis-1, a model we developed and release as open weights at https://huggingface.co/KIEFERSA/Sophea-Genesis-1, leads on inflectional morphology while matching similarly sized models in general capability.
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All authors Ioakeim Perros, Cleopatra Papadopoulou, Ayoub Kirouane, Christos Petrocheilos

Machine Learning

TopoFormer: Topology Meets Attention for Graph Learning

We introduce Topoformer, a lightweight and scalable framework for graph representation learning that encodes topological structure into attention-friendly sequences. At the core of our method is Topo-Scan, a novel module that decomposes a graph into a short, ordered sequence of topological tokens by slicing over node or edge filtrations. These sequences capture multi-scale structural patterns, from local motifs to global organization, and are processed by a Transformer to produce expressive graph-level embeddings. Unlike traditional persistent homology pipelines, Topo-Scan is parallelizable, avoids costly diagram computations, and integrates seamlessly with standard deep learning architectures. We provide theoretical guarantees on the stability of our topological encodings and demonstrate state-of-the-art performance across graph classification and molecular property prediction benchmarks. Our results show that Topoformer matches or exceeds strong GNN and topology-based baselines while offering predictable and efficient compute. This work opens a new path for parallelizable and unifying approaches to graph representation learning that integrate topological inductive biases into attention frameworks.
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All authors Md Joshem Uddin, Astrit Tola, Cuneyt Gurcan Akcora, Baris Coskunuzer

Machine Learning · Cross-listed from stat.ML

Uncertainty quantification for trustworthy deep learning: Methods and measures

The deployment of deep neural networks in safety-critical domains demands reliable estimates of predictive confidence, yet conventional architectures lack principled uncertainty quantification. This survey provides a structured, critical review of methods for Uncertainty Quantification (UQ) in deep learning, scoped to ensemble-based and approximate Bayesian approaches and the measures used to summarize their outputs. Relative to existing UQ surveys, our contribution is depth on efficient ensemble approximations and single-pass methods, and a unified treatment that separates the method producing a predictive distribution from the measure that summarizes its uncertainty. We organize methods into five families: Bayesian neural networks, Monte Carlo Dropout, deep ensembles, efficient ensemble approximations, and last-layer or single-pass approaches. We situate adjacent work on evidential and prior networks, conformal prediction, and post-hoc calibration, together with the decision-time tasks of out-of-distribution detection and selective prediction. For each, we examine theoretical motivation, implementation, empirical performance, and limitations. We then review ensemble diversity theory and uncertainty measures and their decompositions, contrasting the entropy decomposition with pairwise divergence measures, and consolidate evaluation methodology so that our qualitative comparisons share a common basis. We close with a brief treatment of uncertainty in large language models and open research directions, including efficient epistemic measures for classification, last-layer diversity, diversity and calibration under shift, and hybrid architectures.
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Machine Learning · Cross-listed from cs.CL

EMBL AI Librarian: Life-Sciences Knowledge Layer for AI Agents

The web is increasingly accessed by AI agents rather than humans. Every agent needs knowledge, especially in the life-sciences, where agentic pipelines are growing fast. Access to the literature is a crucial part of that need, and resources such as Europe PMC, with over 40M indexed records, are widely used to meet it. Yet these resources were not built for AI agents: they take keywords and complex syntax and return whole papers, so every agent must learn the syntax, issue several searches, and read full papers to find the evidence it needs. We introduce EMBL AI Librarian, a knowledge layer that upgrades the Europe PMC interface for AI agents: an agent asks in natural language and receives evidence that answers it. A single LLM orchestrates the whole knowledge retrieval process: it plans complementary subqueries executed by the live Europe PMC search engine, then reads the selected papers and locates the relevant evidence. We evaluate Librarian across four benchmarks: literature synthesis, claim verification, open-domain question answering, and downstream biology tasks such as protocol questions and sequence manipulation. On ScholarQABench, Librarian improves Citation F1 by more than $16$ points over strong recently published baselines. Used as the retrieval layer of an existing claim-verification pipeline, it increases agreement with expert consensus; and on the open-form LitQA2 benchmark, a GPT-5.4 agent scores about $8$ points higher when grounded in Librarian than with web search. Overall, our results show that equipping life-science agents with the Librarian knowledge layer improves performance across a range of tasks. We release our code publicly at https://github.com/petroni-lab/librarian
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All authors Luigi Sigillo, Matteo Silvestri, Francesco Tabaro, Rajat Bhatnagar, Syed Irtaza Mubashar, Matt Jeffryes, Daljit Nijjer, Vittorio Perera, Ola Spjuth, Julio Saez-Rodriguez, Melissa Harrison, Fabio Petroni

Machine Learning · Cross-listed from physics.ao-ph

Weather Emulators at the Frontier of Heat Extremes Predictability

Atmospheric predictability declines rapidly beyond the next ten days, such that forecasts at longer lead times primarily convey large-scale trends rather than specific states. Yet in a warming world, improving early warnings of extreme heat is an increasingly critical challenge. Here we evaluate six state-of-the-art deep learning weather emulators - Pangu-Weather, FuXi, ArchesWeather, AIFS, GraphCast and Aurora - alongside leading dynamical systems and statistical baselines in forecasting global near-surface temperature and extreme heat at lead times of 10-15 days. We find that several emulators rival or even surpass physics-based forecasts in deterministic temperature skill, but do so at the cost of reduced spectral fidelity, in a process widely known as blurring. While all models show some degree of predictive skill for extreme heat, most emulators under-represent peak intensities, and IFS recall is greater than that of any of the emulators. These results highlight both the emerging potential of AI to enhance extended range temperature prediction, and the remaining challenges in delivering reliable, actionable early warnings in a changing climate.
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All authors Cas Decancq, Thomas Mortier, Jessica Keune, Diego G. Miralles