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Sunday 10 May

Machine Learning

Online Set Learning from Precision and Recall Feedback

We consider the problem of learning an unknown subset $N_\text{target}$ of a domain in an online setting. In each round $t$, the learner predicts a set of items ${N}_t$ and receives one of two types of feedback, each with equal probability: precision feedback, in which a randomly chosen item from the predicted set $N_t$ is revealed and the learner is told whether it belongs to $N_\text{target}$ (incurring a reward if it does), or recall feedback, in which a randomly chosen item from the target set $N_\text{target}$ is revealed and the learner is told whether it belongs to $N_t$ (incurring a reward if it does). The goal is to maximize the cumulative reward over time. This simple online set learning problem abstracts a variety of learning scenarios with precision- and recall-type feedback. We show that a hypothesis class (a family of subsets of the domain) is learnable in this setting if and only if it has finite Vapnik-Chervonenkis (VC) dimension, mirroring the classical PAC characterization. However, the resulting algorithmic structure is markedly more intricate: in contrast to standard Probably Approximately Correct (PAC) learning – where the algorithmic landscape is governed by the simple principle of Empirical Risk Minimization (ERM) – our partial feedback model can invalidate ERM and even all proper learning rules. We develop algorithms to address the dependencies induced by the feedback, obtaining regret guarantees in both the realizable and agnostic settings. Our results provide a qualitative characterization of learnability in this model, addressing its most basic question, while pointing to a range of natural and intriguing open questions, including the determination of optimal regret rates.
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All authors Lee Cohen, Yishay Mansour, Shay Moran, Han Shao

Machine Learning · Cross-listed from math.OC

Phases of Muon: When Muon Eclipses SignSGD

Muon and related spectral optimizers have recently demonstrated strong empirical performance as scalable stochastic methods, often outperforming Adam. Yet their behavior remains poorly understood. We analyze stochastic Muon, which orthogonalizes an exponential moving average of minibatch gradients, on a high-dimensional matrix-valued least squares problem, and we compare it with stochastic SignSGD, a simple baseline comparable to Adam. We derive explicit deterministic dynamics that provide a tractable framework for studying learning behavior. We show that Muon has non-linear sensitivity to the effective batch $B_{\rm eff}=B(1+\beta)/(1-\beta)$. With exact whitening and small $B_{\rm eff}$ Muon fails to resolve smaller eigenmodes, slowing down convergence. Momentum and finite Newton–Shulz iterations can act as a ridge which lessen this effect. This behavior is in contrast with SignSGD which has no transition, leading to different optimal learning rates, but with matching convergence rate up to a constant factor in the isotropic setting. For anisotropic data, large batch setting Muon performs a square-root preconditioning with respect to the data covariance spectrum while SignSGD provides no preconditioning for generic covariances. We analyze time to target loss in a power law covariance model and derive a phase diagram in the data exponent $\alpha$ and target exponent $\zeta$. Muon is favored for steep covariance spectra with rich targets ($\alpha>2$, $\zeta<\alpha+1$), SignSGD is favored for flat spectra ($\alpha<1$), and in other regions the winner depends on how the target loss scales with dimension. Our results shed light on why replacing Adam with Muon is not trivial even from a pure optimization perspective.
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All authors Elliot Paquette, Noah Marshall, Lucas Benigni, Guangyuan Wang, Atish Agarwala, Courtney Paquette

Machine Learning

When Adaptation Fails: A Gradient-Based Diagnosis of Collapsed Gating in Vision-Language Prompt Learning

Adaptive prompting mechanisms have been proposed to enhance vision-language models by dynamically tailoring prompts to inputs. However, in frozen few-shot prompt learning with CLIP-style backbones, we systematically observe that adaptive gates and prompt-selection modules often collapse: they produce nearly constant outputs, contribute negligible gradient signals, and frequently fail to outperform fixed prompts. To further explore this issue, we present a systematic diagnostic study to uncover the underlying causes and conditions of adaptation failure. Through controlled experiments across datasets and multiple prompt learning architectures, we identify two recurring failure modes: gradient magnitude imbalance and gate degradation. Our findings invite a re-examination of indiscriminately adding architectural complexity in parameter-efficient learning and clarify when prompt-level adaptive gating is, and is not, effective in this regime.
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Machine Learning

HS-FNO: History-Space Fourier Neural Operator for Non-Markovian Partial Differential Equations

Neural operators provide fast surrogate models for time-dependent partial differential equations, but their standard autoregressive use usually assumes that the instantaneous field $u(t,\cdot)$ is a complete state. This assumption fails for delay equations, distributed-memory systems, and other non-Markovian dynamics: two trajectories may agree at time $t$ and nevertheless have different futures because their histories differ. We introduce the History-Space Fourier Neural Operator (HS-FNO), a neural operator for delay and memory-driven PDEs formulated on the lifted state $u_t(\theta,x)=u(t+\theta,x)$, $\theta\in[-\tau,0]$. The key computational step is to decompose one history-state update into a learned predictor for the newly exposed future slice and an exact shift-append transport for the portion of the history window already known from the previous state. This avoids learning deterministic history coordinates, reduces the learned output dimension, and enforces the natural discrete history update. We test HS-FNO on five benchmark families covering delayed reaction–diffusion, spatial epidemiology, nonlocal neural-field dynamics, delayed waves, and distributed-memory closures. Across ten random seeds, HS-FNO attains the lowest aggregate one-step, history-space, and rollout errors among the principal baselines. The largest gain occurs in autoregressive prediction, where aggregate rollout error decreases from $0.241$, $0.188$, and $0.185$ for current-state, lag-stack, and unconstrained history-to-history operators, respectively, to $0.094$. The same model uses fewer parameters than unconstrained history prediction. These results indicate that enforcing the discrete shift structure of history-state evolution is an effective inductive bias for non-Markovian PDE surrogate modeling.
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Machine Learning

LLM-Driven Performance-Space Augmentation for Meta-Learning-Based Algorithm Selection

Meta-learning for algorithm selection relies on a meta-dataset in which each row corresponds to a supervised learning dataset described by meta-features and labelled with a target value that is associated with algorithm choice (typically, some function of algorithm performance). A persistent limitation is that the number of curated real-world datasets is small, resulting in sparse meta-datasets that constrain meta-learner generalisation. In this paper, we address this problem by augmenting the meta-dataset with synthetic regression datasets produced via a large language model (LLM), with generation steered toward target regions of a low-dimensionality performance space. In our experiments, we adopt a two-dimensional geometric setting defined by the cross-validated $R^2$ scores of two anchor algorithms, known as landmarkers. We compare two augmentation strategies: (1) uniform sampling, which distributes synthetic datasets across the performance space; and (2) margin-based sampling, which concentrates them near the decision boundary where landmarker preference is most ambiguous. Across 42 real-world UCI regression datasets and 730 synthetic datasets, both strategies substantially improve meta-learner performance over the unaugmented baseline under regression and multi-label evaluation formulations. However, uniform augmentation consistently outperforms margin-based augmentation, achieving a 17.47% relative reduction in Hamming loss, a 100.41% relative improvement in subset accuracy, and a +6.09% relative gain in pooled out-of-fold $R^2$. These results lead us to postulate a central thesis: the performance of algorithms resides on a low-dimensional performance manifold, whose reconstruction bias may be minimised by user-guided LLMs that seek to maximise uniform $\epsilon$-cover, and consequently, lead to improved meta-learning for algorithm selection.
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Machine Learning

Mixture of Layers with Hybrid Attention

Standard Mixture-of-Experts (MoE) transformers route tokens to expert subnetworks within each layer, but the layer structure itself remains monolithic. We introduce Mixture of Layers (MoL), which replaces full-width transformer blocks (d_model) with K parallel thin blocks at reduced dimensionality (d_thin << d_model), connected via learned down/up projections and composed via top-k block routing. Scaling sparse block routing to many blocks creates an attention coverage problem, as each block sees fewer tokens. We address this by introducing hybrid attention, which pairs one shared softmax block for global context with Gated DeltaNet linear attention in routed blocks.
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Machine Learning

Doubly Robust Proxy Causal Learning with Neural Mean Embeddings

We propose a novel doubly robust neural mean-embedding framework for proxy causal learning (PCL) for continuous and structured treatments. PCL uses proxy variables and bridge functions to identify causal effects under unobserved confounding: either an outcome bridge or a treatment bridge can identify the target, while doubly robust methods combine both. Our framework learns both bridges with data-adaptive neural features and combines them into doubly robust estimators of population, treatment-conditional, and heterogeneous dose-response functions. Two features of our result are particularly notable: the treatment bridge can be learned without density ratios, and the same treatment bridge yields both population and heterogeneous responses, eliminating the need for a separate bridge fit. Our analysis shows that the doubly robust error is controlled by final-stage error and the smaller of the two projected bridge errors, with no separate density-ratio estimation error. Across challenging continuous- and structured-treatment benchmarks, our method outperforms neural single-bridge estimators and fixed-feature doubly robust estimators. Our implementation is available at https://github.com/BariscanBozkurt/DoublyRobust-PCL-Network.
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All authors Bariscan Bozkurt, Alexandre Galashov, Dimitri Meunier, Zikai Shen, Arthur Gretton, Houssam Zenati

Machine Learning · Cross-listed from stat.ML

Empirical Bayes 1-bit matrix completion

The problem of predicting unobserved entries in a binary matrix, known as 1-bit matrix completion, has found diverse applications in fields such as recommendation systems. In this study, we develop an empirical Bayes method for 1-bit matrix completion motivated by the Efron–Morris estimator, a matrix generalization of the James–Stein estimator that shrinks singular values toward zero. The proposed method exploits the underlying low-rank structure of binary matrices, drawing parallels with multidimensional item response theory. Simulation studies and real-data applications demonstrate that the proposed method achieves competitive predictive accuracy and favorable predictive calibration.
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Machine Learning · Cross-listed from cs.CR

Restricting the Model, Missing the System: Measurement and Accountability in Offensive AI Governance

We show that the instruments used to measure AI offensive capability fail in two ways: (i) they overstate harm, and (ii) they credit the model with capability that belongs to the surrounding system. We argue that restricting access to a model is therefore necessary but not sufficient and that policy and procurement also need system-level, harm-grounded capability assessment. In June 2026, two frontier models were suspended under US export controls, reportedly prompted by a jailbreak that asked a model to read a codebase and fix its flaws. This finding measured an elicitation system of model, prompt, and task. We support our argument with a study of an open-source framework in which lightweight large language model (LLM) agents coordinate through shared memory and evolutionary optimization, providing two pieces of evidence. First, jailbreak metrics overstate harm: over 225 swarm-generated attacks per target, LLM-as-judge scoring rated Claude Sonnet 4 compromised in 40% of attacks, yet manual verification found actionable harmful content in none, against a 45.8% Effective Harm Rate for GPT-4o. Second, scaffolded evaluations misattribute capability: on a planted-vulnerability target, a full pipeline built around a 1.2B-parameter model recovers 9 of 9 weaknesses, while the same model without the hand-crafted components recovers 0 of 9 by crash verification and 2 of 9 by cited source line. Offensive capability is a property of model, scaffold, and evaluation protocol together. The duty to assess it should lie with whoever controls the system, shapes its behaviour, and can foresee what it will do. In our setting, that is the party who builds the harness around the model, a role that current regulation does not clearly cover.
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All authors Michael Alexander Riegler, Finn Schwall, Annika Willoch Olstad, Birk Sebastian Frostelid Torpmann-Hagen, Sushant Gautam, Klas H. Pettersen, Inga Strümke

Machine Learning · Cross-listed from cs.CL

Hidden Error Awareness in Chain-of-Thought Reasoning: The Signal Is Diagnostic, Not Causal

Chain-of-thought (CoT) prompting assumes that generated reasoning reflects a model's internal computation. We show this assumption is wrong in a specific, measurable way: models internally detect their own reasoning errors but outwardly express confidence in them. A linear probe on hidden states predicts trace correctness with 0.95 AUROC – from the very first reasoning step (0.79) – while verbalized confidence for wrong traces is 4.55/5, nearly identical to correct ones (4.87/5). A text-surface classifier achieves only 0.59 on the same data, confirming a 0.20-point gap invisible in the generated text. This hidden error awareness holds across three model families (Qwen, Llama, Phi), 1.5B-72B parameters, and RL-trained reasoning models (DeepSeek-R1, 0.852 AUROC). The natural question is whether this signal can fix the errors it detects. It cannot. Four interventions – activation steering, probe-guided best-of-N, self-correction, and activation patching – all fail; patching destroys output coherence entirely. The signal is diagnostic, not causal: a readout of computation quality, not a lever to redirect it. This delineates a boundary for mechanistic interpretability: error representations during reasoning are fundamentally different from the factual knowledge representations that prior work has successfully edited.
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All authors Aojie Yuan, Zhiyuan Julian Su, Haiyue Zhang, Yi Nian, Yue Zhao

Machine Learning

Spectral Transformer Neural Processes

Time series, spatial data, and images are natural applications of Neural Processes. However, when such data exhibit strong periodicity and quasi-periodicity, existing methods often suffer from underfitting and generalise poorly beyond the training distribution. In this work, we propose Spectral Transformer Neural Processes (STNPs), a frequency-aware extension of Transformer Neural Processes (TNPs). STNPs introduce a Spectral Aggregator that estimates an empirical context spectrum, compresses it into a spectral mixture, samples task-adaptive spectral features, and concatenates them with time-domain embeddings, thereby injecting a spectral-mixture-kernel bias into TNPs. This design reshapes the similarity geometry, allowing inputs that are distant in Euclidean space to remain close in an induced periodic manifold while enhancing time-frequency interactions. Extensive experiments on synthetic regression tasks, real-world time-series datasets, and an image dataset demonstrate that STNPs consistently improve predictive performance over existing baselines, extending Neural Processes beyond translation equivariance towards effective modelling of periodicity and quasi-periodicity.
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Machine Learning · Cross-listed from cs.CL

Beyond Language: Format-Agnostic Reasoning Subspaces in Large Language Models

Large language models represent the same reasoning in vastly different surface forms – English prose, Python code, mathematical notation – yet whether they share a common internal substrate across these symbolic systems remains unknown. We introduce the TriForm Benchmark (18 concepts x 6 forms x 3 instances = 324 stimuli) and study five LLMs (1.6B-8B) across three architecture families. Using permutation-corrected RSA, cross-form probing, and activation patching, we find converging evidence for a Format-Agnostic Reasoning Subspace (FARS) in middle layers. We make FARS concrete: concept-centroid PCA extracts a 10-dimensional subspace that amplifies concept structure 3x while suppressing form information to near zero. Replacing only these 10 dimensions during cross-form patching preserves 90-96% of model output – far exceeding both full activation replacement (44-56%) and variance-maximizing PCA (60-74%) – while ablating them causes targeted disruption. FARS generalizes to held-out concepts and converges across architectures (CCA > 0.79 for all model pairs), providing within-modality evidence for the Platonic Representation Hypothesis. We further discover a declarative-procedural asymmetry: representations are far more compatible between prose and mathematics than between either and code, suggesting that the critical axis of divergence is not linguistic vs. formal but declarative vs. procedural.
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Machine Learning · Cross-listed from physics.chem-ph

Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-based Molecular Dynamics Simulators

Machine learning-based simulators offer the potential to model the dynamics of complex systems more efficiently than classical approaches, while retaining differentiability, a key property for materials design. Graph neural network (GNN)-based simulators have shown strong performance across a range of physical domains, including molecular dynamics. However, their reliance on temporal context for accurate prediction limits their use in inverse design settings, where simulations must be initialized from a single static configuration. Moreover, inverse design requires robust out-of-distribution (OOD) generalization, as candidate structures typically lie outside the training domain. Here, we address both challenges by introducing two complementary strategies that enable stable and accurate structure-only initialization of GNN-based simulations. To directly target OOD generalization, we propose an inference-time physics-based optimization framework that constrains model predictions to remain physically consistent during rollout. In addition, we introduce a differentiable, GNN-based barostat that enables accurate tracking of system dimensions and pressure, critical for capturing macroscopic responses and supporting OOD generalization. We evaluate these approaches in the context of uniaxial compression of disordered elastic networks spanning a broad range of geometries, Poisson ratios, and microscopic behaviors. We find that, together, these methods substantially improve rollout stability and enable reliable OOD generalization, including regimes with distinct, more complex dynamics than those in the training data. These results show that, when properly initialized and constrained, GNN-based simulators can serve as efficient and generalizable tools for materials discovery and structural optimization, advancing their use in materials, molecular, and dynamical system design.
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Machine Learning · Cross-listed from cs.CL

Not All Thoughts Need HBM: Semantics-Aware Memory Hierarchy for LLM Reasoning

Reasoning LLMs produce thousands of chain-of-thought tokens whose KV cache must reside in scarce GPU HBM. The dominant response – permanently evicting low-importance tokens – is catastrophic for reasoning: accuracy collapses to 0-2.5% when half the cache is removed. We ask a different question: must every token live in HBM, or can some live elsewhere? We introduce a semantics-aware memory hierarchy that sorts tokens into four tiers – HBM, DDR, compressed, and evicted – using cumulative attention scoring. Low-importance tokens are moved to CPU memory rather than destroyed; before each attention step they are prefetched back at full precision, contributing exactly the same terms as if they had never left the GPU. We formalize this as zero-approximation-error offloading and derive our central finding: accuracy depends solely on how many tokens are permanently discarded (the eviction ratio), not on how many remain in HBM. A controlled 3x3 grid over HBM and eviction ratios confirms this across three model scales (7B-32B) and four benchmarks. With only 3% eviction, the hierarchy retains 91% of full-cache accuracy on GSM8K and 71% on MATH-500 (n=200); at 14B scale it matches the uncompressed baseline (90% vs. 86%) while halving HBM occupancy. A head-to-head reproduction of R-KV – the current SOTA eviction method – on our setup achieves only 0-32% at comparable budgets. A system prototype with real GPU-CPU data movement shows that the price of this preservation is modest – 5-7% transfer overhead – and scaling analysis projects 2-48 GB HBM savings at production batch sizes.
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Machine Learning

Kintsugi: Learning Policies by Repairing Executable Knowledge Bases

Modern embodied agents achieve impressive performance, but their task knowledge is often stored in neural weights, latent state, or prompt-bound memory, making individual policy knowledge difficult to inspect, validate, recombine, and reuse. We introduce Kintsugi, a white-box policy-learning framework that treats embodied policy improvement as verifier-gated construction of a typed executable Knowledge Base (KB). Kintsugi represents task-level policy knowledge as composable typed entries – predicates, operators, policy schemas, monitors, recovery rules, experience records, and goals – and improves this artifact through localized typed edits induced from rollout evidence, rather than relying on test-time language-model reasoning. Between rollouts, a tool-constrained agentic editing loop diagnoses trajectory failures, localizes them to editable KB layers, and proposes candidate edits. A deterministic verification gate admits an edit only when the candidate type-checks, the resulting KB executes, and focused validation success or trajectory-health metrics improve without violating protected-regression checks. At inference, the accepted KB is executed by a deterministic symbolic executor with zero LLM calls. Across long-horizon text-agent benchmarks and representative object-centric manipulation settings, Kintsugi achieves strong endpoint performance while preserving inspectability, local editability, and verifier-gated deployment. These results suggest that embodied policy improvement can be organized around executable task knowledge.
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All authors Teng Cao, Yu Deng, Hikaru Shindo, Quentin Delfosse, Lanxi Wen, Suli Wang, Jannis Blüml, Christopher Tauchmann, Kristian Kersting

Machine Learning

CTQWformer: A CTQW-based Transformer for Graph Classification

Graph Neural Networks (GNN) and Transformer-based architectures have achieved remarkable progress in graph learning, yet they still struggle to capture both global structural dependencies and model the dynamic information propagation. In this paper, we propose CTQWformer, a hybrid graph learning framework that integrates continuous-time quantum walks (CTQW) with GNN. CTQWformer employs a trainable Hamiltonian that fuses graph topology and node features, enabling physically grounded modeling of quantum walk dynamics that captures rich and intricate graph structure information. The extracted CTQW-based representations are incorporated into two complementary modules:(i) a Graph Transformer module that embeds final-time propagation probabilities as structural biases in the self-attention mechanism, and (ii) a Graph Recurrent Module that captures temporal evolution patterns with bidirectional recurrent networks. Extensive experiments on benchmark graph classification datasets demonstrate that CTQWformer outperforms graph kernel and GNN-based methods, demonstrating the potential of integrating quantum dynamics into trainable deep learning frameworks for graph representation learning. To the best of our knowledge, CTQWformer is the first hybrid CTQW-based Transformer, integrating CTQW-derived structural bias with temporal evolution modeling to advance graph learning.
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All authors Zhan Li, Wuqing Yu, Yusen Wu, Chuan Wang

Machine Learning

SEMASIA: A Large-Scale Dataset of Semantically Structured Latent Representations

Latent representations learned by neural networks often exhibit semantic structure, where concept similarity is reflected by geometric proximity in embedding space. However, comparing such spaces across models remains difficult: changes in architecture, pretraining data, objective, or random seed can yield embeddings with similar content but incompatible geometry. This latent space alignment problem is central to interpretability, transfer and multimodal learning, federated systems, and semantic communication; however, progress remains limited by the lack of large-scale, model-diverse, and metadata-rich benchmarks. To address this gap, we introduce SEMASIA, a large-scale collection of latent representations extracted from approximately 1,700 pretrained vision models across eight standard image-classification benchmarks. SEMASIA pairs embeddings with structured metadata describing architectures, training regimes, pretraining sources, and model scale. We demonstrate three applications of the resource. First, we analyze the conceptual organization of individual latent spaces, showing consistent prototype-like clustering and hierarchical semantic neighborhoods across models and datasets. Second, we benchmark supervised alignment mappings between latent spaces using reconstruction error and downstream task performance. Third, we perform a large-scale regression analysis of how pretraining-data complexity, specialization, transfer learning, augmentation, and model scale relate to geometric and probing properties of embeddings. By coupling representational scale with standardized metadata, SEMASIA provides a reproducible foundation for studying latent geometry, evaluating alignment methods, and developing next-generation heterogeneous and interoperable AI systems.
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All authors Mario Edoardo Pandolfo, Enrico Grimaldi, Lorenzo Marinucci, Leonardo Di Nino, Simone Fiorellino, Sergio Barbarossa, Paolo Di Lorenzo

Machine Learning · Cross-listed from cs.CL

A Cognitively Grounded Bayesian Framework for Misinformation Susceptibility

In this (work in progress) paper, we present Bounded Pragmatic Listener (or BPL), a cognitively grounded Bayesian framework for modelling susceptibility to information disorder. BPL extends Rational Speech Act theory with three cognitively motivated bounds derived from the bounded rationality literature with a) a recursion depth bound (that emphasises working memory limits);b) a prior compression parameter (which is oriented at capturing information bottleneck); and c) an availability sample size (that operationalises importance sampling with saliency-weighted proposals). This allows us to test predictions about misinformation susceptibility, annotator disagreement, and the differential vulnerability to mis-, dis-, and mal-information as defined in the Information Disorder framework. We validate BPL on the LIAR and MultiFC benchmarks showcasing competitive veracity classification and experimental support for the depth-mismatch paradox.
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Machine Learning

Positional LSH: Binary Block Matrix Approximation for Attention with Linear Biases

Positional encoding in transformers is commonly implemented through positional embeddings, attention masks, or bias terms, but formal connections between these mechanisms remain limited. We study attention with positional bias through the lens of locality-sensitive hashing (LSH), focusing on Attention with Linear Biases (ALiBi). We show that the ALiBi bias matrix is the expectation of contiguous block-diagonal binary masks induced by a “positional LSH” scheme. The empirical mean of masks sampled from this scheme yields spectral norm and max-norm approximation guarantees with bounded block sizes with high probability. This structural theorem implies a uniform approximation theorem for ALiBi-biased attention: with high probability over the sampled masks, the approximate attention output is accurate simultaneously for all query-key-value inputs and can be computed in near-linear time in the context length, reducing long-context ALiBi to a collection of randomized short-context regular (positionally unbiased) attention operations. Conceptually, this connects positional bias, masks, and positional embeddings in a single formal framework and suggests an approach to efficient ALiBi-biased attention. Experiments on large language models validate our theoretical findings.
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Machine Learning

RAwR: Role-Aware Rewiring via Approximate Equitable Partition

While Graph Neural Networks (GNNs) have demonstrated significant efficacy in node classification tasks, where predictions rely on local neighborhood information, the performance of GNNs often drops when prediction tasks depend on long-range interactions. These limitations are attributed to phenomena such as oversquashing, where structural bottlenecks restrict signal propagation across the network topology. To address this challenge, we introduce RAwR, a computationally efficient rewiring framework that augments the input graph with a quotient graph derived from equitable partitions. This approach facilitates accelerated communication between nodes that share identical structural roles, as identified by the Weisfeiler-Leman graph coloring, and thereby reduces the total effective resistance of the system. Furthermore, by employing an approximate definition of the equitable partition, RAwR enables a controllable reduction of the quotient graph, which, in its most condensed state, recovers the conventional Master Node rewiring technique. Empirical evaluations across a diverse suite of benchmarks – including homophilic, heterophilic, and synthetic long-range datasets – demonstrate that RAwR achieves state-of-the-art results. Our contribution is further supported by an analytical investigation using a teacher-student model of linear GNNs, which elucidates the theoretical foundations of role-based rewiring. This analysis leads to the formulation of Spectral Role Lift (SRL), a metric designed to identify the optimal approximate equitable partition for maximizing predictive performance.
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All authors Riccardo Porcedda, Giuseppe Squillace, Bastian Epping, Andrea Vandin, Michael Schaub, Mirco Tribastone, Francesca Chiaromonte

Machine Learning · Cross-listed from stat.ML

Quantitative Local Convergence of Mean-Field Stein Variational Gradient Flow

Stein Variational Gradient Descent (SVGD) is a deterministic interacting-particle method for sampling from a target probability measure given access to its score function. In the mean-field and continuous-time limit, it is known that the flow converges weakly toward the target, but no quantitative rate is known for the last iterate. In this paper, we establish quantitative local convergence in strong norms for this dynamics, when the interaction kernel is of Riesz type on the $d$-dimensional torus. Specifically, assuming that the initial density and the target are smooth and close in $L^2$-norm, we obtain explicit polynomial convergence rates in $L^2$-norm that depend on the dimension and on the regularity parameters of the kernel, the initialization and the target. We further show that these rates are sharp in certain regimes, and support the theory with numerical experiments. In the edge case of kernels with a Coulomb singularity, we recover the global exponential convergence result established in prior work. Our analysis is inspired by recent results on Wasserstein gradient flows of kernel mean discrepancies.
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All authors Lénaïc Chizat, Maria Colombo, Roberto Colombo, Xavier Fernández-Real

Machine Learning · Cross-listed from stat.ML

Optimal Regret for Single Index Bandits

We study the $\textit{single-index bandit}$ problem, where rewards depend on an unknown one-dimensional projection of high-dimensional contexts through an unknown reward function. This model extends linear and generalized linear bandits to a nonparametric setting, and is particularly relevant when the reward function is not known in advance. While optimal regret guarantees are known for monotone reward functions, the general non-monotone case remains poorly understood, with the best known bound being $\tilde{\mathcal{O}}(T^{3/4})$ (under standard boundedness and Lipschitz assumptions on the reward function [Kang et al., 2025]). We close this gap by establishing the optimal regret for general single-index bandits. We propose a simple two-phase algorithm, namely, Zoomed Single Index Bandit with Upper Confidence Bound ($\texttt{ZoomSIB-UCB}$), that first estimates the projection direction via a normalized Stein estimator, and then reduces the problem to a one-dimensional bandit using discretization and finally use UCB. This approach achieves a regret of $\tilde{\mathcal{O}}(T^{2/3})$, and improves significantly upon prior work without any additional assumptions. We also prove a matching minimax lower bound of $\tilde{\Omega}(T^{2/3})$, showing that the upper bound is essentially tight. Our upper and lower bounds together provide a sharp characterization of the regret in single-index bandits. Moreover, the empirical results further demonstrate the effectiveness and robustness of our approach.
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Machine Learning

Learning to Bid with Unknown Private Values in Budget-Constrained First-Price Auctions

We study the operational problem of automated bidding in repeated first-price auctions under budget and return-on-spend (RoS) constraints. In this setting, an auto-bidder must translate advertiser goals and constraints into real-time bids while learning two latent objects: the causal uplift value of each ad impression and the highest competing bid (HoB) needed to win it. We model uplift values and HoBs through a shared-context Linear Treatment Effect (LTE) structure and analyze both full-information and binary HoB feedback. We develop Dual-LTE, a dual-aware online learning framework that coordinates value estimation, HoB estimation, and budget/RoS control through confidence-guided exploration. We prove regret and constraint-violation guarantees that scale as $\widetilde{O}(\sqrt{T})$ under full-information HoB feedback and $\widetilde{O}(T^{2/3})$ under binary win/loss feedback, where $\widetilde{O}(\cdot)$ hides problem-dependent and logarithmic factors. Semi-synthetic experiments using real auction covariates show that Dual-LTE achieves lower regret than the baselines across budget and RoS settings, while illustrating the tradeoff between regret and constraint violation. Our results provide operational guidance for DSPs and platform auto-bidders that manage advertiser budgets or seek to meet ROAS targets. When impression values must be learned, value estimation should be coordinated with budget or ROAS control: the auto-bidder should follow the Lagrangian bidding rule only when value estimates are sufficiently accurate given the current constraint pressure and should otherwise use controlled exploration.
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All authors Zihao Hu, Yuxiao Wen, Yuan Yao, Jiheng Zhang, Zhengyuan Zhou

Machine Learning

Inverse Design for Conditional Distribution Matching

Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals are naturally distributional rather than pointwise, incorporating the inherent uncertainty of $Y$ and targeting a specific form for it, a task not addressed by standard inverse design. To address this issue we introduce Conditional Distribution Matching (CDM), a new inverse-design problem class in generative modeling: given a joint distribution $\mathcal{P}(X, Y)$ and a target distribution $\mathcal{G}(Y)$, find an input $x^*$ whose induced conditional distribution $\mathcal{P}(Y \mid X = x^*)$ matches $\mathcal{G}$. We formally define two variants: Conditional Distribution Matching Sampling (CDMS) and Conditional Distribution Matching Optimization (CDMO). To solve these problems, we propose MLGD-F (Matching-Loss Guided Diffusion with a Fast inner sampler), a plug-and-play inference-time algorithm that combines a pretrained score-based diffusion model with a pretrained fast conditional sampler, requiring no additional training or fine-tuning. By leveraging single-step conditional sampling, MLGD-F enables tractable gradient computation, making the estimation of $\mathcal{P}(Y \mid X)$ both memory-efficient and computationally lightweight. We validate MLGD-F on synthetic benchmarks, structured image transformations, and generative editing optimization, demonstrating reliable recovery of inputs whose conditional distributions match diverse user-specified targets, including discrete mixtures and continuous low-rank supports.
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Machine Learning

fmxcoders: Factorized Masked Crosscoders for Cross-Layer Feature Discovery

Many features in pretrained Transformers span multiple layers: they emerge through stages of inference, persist in the residual stream, or are built jointly by parallel MLPs. Crosscoders (namely, sparse dictionaries trained jointly across layers) aim to recover these cross-layer features in a single shared latent space. We show that standard crosscoders largely fail at this purpose. Although their decoder weight norms spread evenly across layers, a functional coherence metric we introduce reveals that each latent's activation is effectively driven by only one or two layers on average. While functionally coherent latents act as human-interpretable concept detectors (e.g., US states and cities), the layer-localized latents that crosscoders predominantly learn collapse onto surface-level patterns such as digit detectors. We trace this failure to two structural limitations: unconstrained cross-layer parameterization and unregularized cross-layer dependence. We address both by introducing fmxcoders, which (i) replace the encoder and decoder with low-rank tensor factorizations that draw every latent's per-layer weights from a shared cross-layer basis, and (ii) apply stochastic layer masking, a denoising regularizer along the layer axis that penalizes latents whose contribution collapses when a single layer is masked. Across GPT2-Small, Pythia-410M, Pythia-1.4B, and Gemma2-2B, fmxcoders lift mean probing F1 by 10-30 points, surpassing per-layer SAE baselines that standard crosscoders fail to reach, reduce reconstruction MSE by 25-50%, and roughly double mean functional coherence. An LLM-as-a-judge evaluation further shows that fmxcoders recover 3-13$\times$ more semantically coherent latents than standard crosscoders across all four base LLMs.
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All authors Andreas D. Demou, Panagiotis Koromilas, James Oldfield, Yannis Panagakis, Mihalis A. Nicolaou

Machine Learning · Cross-listed from cs.DC

PoHAR: Understanding Hyperlocal Human Activities with Pollution Sensor Networks

Low-cost air quality sensors are becoming ubiquitous in our daily lives as public awareness of air pollution continues to grow, and people take measures to monitor and improve the air they breathe indoors. Besides the standard operation of these sensors, fluctuations in environmental parameters can be leveraged to understand human behavior and activities in indoor spaces. Unlike traditional audio-visual, Radio Frequency, and inertial sensors, air quality sensors are easily scalable to a household, are privacy-preserving, and more economical. Such distributed sensor networks must jointly make decisions to monitor indoor occupants for downstream smart home and healthcare applications. However, due to low processing power, memory, and energy, they often struggle to maintain distributed data consensus and identify activity-affected sensor groups for accurate on-device inference. In this paper, we propose PoHAR framework that implements: (i) a conflict-free replicated data primitive for data sharing, (ii) a hierarchical clustering for ESP32 to detect activity-affected sensor groups with a self-supervised distance metric, and (iii) a leader-based group inference with off-the-shelf ML classifiers, enabling the sensor network to collaboratively detect hyperlocal indoor activities. Our extensive experiments demonstrated on-device activity detection, achieving 97.41% accuracy for indoor activity and 99.68% for cooking activity, using off-the-shelf ML models with latency below 34 microseconds.
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Machine Learning

FedCIGAR: A Personalized Reconstruction Approach for Federated Graph-level Anomaly Detection

Graph-level anomaly detection (GLAD) is crucial for ensuring the reliability of graph-driven applications by identifying abnormal graphs that deviate from the majority. Considering the privacy concerns in distributed scenarios, federated graph-level anomaly detection (FedGLAD) has emerged as a promising solution to enable collaborative detection without sharing raw data. However, existing methods suffer from poor generalization due to the reliance on unrealistic synthetic anomalies and insufficient personalization capabilities under data heterogeneity. To address these challenges, we propose a novel Federated graph-level anomaly detection approach with Cluster-adaptIve GAted Reconstruction (FedCIGAR). Specifically, we design a reconstruction-based paradigm trained on normal graphs to avoid synthetic data. Furthermore, we introduce a client-side node contribution gating mechanism and a server-side sliding window-based clustering strategy to tackle data heterogeneity. Extensive experiments demonstrate that FedCIGAR achieves superior performance and robustness in contrast to state-of-the-art methods.
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All authors Yunfeng Zhao, Yixin Liu, Qingfeng Chen, Shiyuan Li, Yue Tan, Shirui Pan

Machine Learning

TabFORGE: A Tabular Foundation Model for Generative Modelling

Generative modelling is a demanding test of foundation models, because it requires robust, holistic representation learning for a given data modality, rather than optimisation for a supervised prediction target alone. While recent work on tabular foundation models has achieved remarkable progress in predictive modelling, generative tabular foundation models remain underexplored. Existing tabular foundation generators, in particular, have not yet consistently matched strong dataset-specific generators in synthetic data quality. A key reason is their insufficient alignment with the inter-feature dependency structure of tabular data, which can reflect underlying causal relationships. In this paper, we address this gap by introducing a novel tabular foundation model, $\textbf{TabFORGE}$, built on pretrained $\textbf{Tab}$ular $\textbf{FO}$undational $\textbf{R}$epresentations for $\textbf{GE}$neration. TabFORGE is designed to utilise transferable representations induced by a pretrained structure-aware feature encoder, which captures information useful for characterising inter-feature dependencies. It further decouples latent modelling from decoding through a two-stage design: we first pretrain a score-based diffusion transformer, and then pretrain a denoising-aligned decoder using the denoised latent embeddings. This design elegantly mitigates the distribution shifts in latent embeddings that typically arise between training and inference. We evaluate TabFORGE comprehensively against 22 benchmark methods on 45 real-world datasets. Our results show that TabFORGE effectively learns and leverages generalisable tabular representations, enabling efficient generation of high-quality synthetic tabular data, particularly with strong structural fidelity. Code is available at https://github.com/SilenceX12138/TabFORGE.
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All authors Xiangjian Jiang, Mingxuan Liu, Nikola Simidjievski, Tassilo Klein, Mateja Jamnik

Machine Learning

A Controlled Diagnostic Study of Hardware-Induced Distortions in Hardware-Aware Training

Hardware-aware training (HAT) is widely used to improve the robustness of neural networks on non-ideal AI accelerators, such as analog in-memory computing (IMC) systems. However, not all hardware-induced distortions are equally compensable by training. This paper presents a diagnostic framework that models hardware non-idealities as structured perturbations of the forward operator and evaluates their compatibility with gradient-based optimization. We analyze six representative perturbation classes–read noise, variability, drift, stuck-at faults, IR-drop, and ADC discretization–and identify three key diagnostics: gradient expectation consistency, bounded gradient variance, and non-degenerate sensitivity. Our results show a clear separation between perturbations that can be compensated by HAT and those that consistently break optimization. This provides practical guidance for hardware-software co-design, clarifying which non-idealities can be addressed at the training level and which require circuit-, architecture-, or calibration-level mitigation. This study should be interpreted as a controlled empirical analysis under vanilla forward-perturbation HAT, rather than as a universal theory of hardware-aware training.
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Machine Learning

GravityGraphSAGE: Link Prediction in Directed Attributed Graphs

Link prediction (inferring missing or future connections between nodes in a graph) is a fundamental problem in network science with widespread applications in, e.g., biological systems, recommender systems, finance and cybersecurity. The ability to accurately predict links has significant real-world applications, such as detecting fraudulent financial transactions or identifying drug-target interactions in biomedicine. Despite a rich literature, link prediction is still challenging, especially for graphs enriched with information on edges (direction) and nodes (attributes). In fact, research on link prediction, especially the one based on Graph Deep Learning (GDL), has mostly focused on undirected graphs, without fully leveraging node attributes. Here, we fill this gap by proposing Gravity-GraphSAGE (GG-SAGE), a modified version of GraphSAGE, a GDL model for node embeddings, composed of a gravity-inspired decoder. This implementation is the first example in the literature of a GraphSAGE backbone adopted for directed link prediction. Using the benchmark datasets Cora, Citeseer, PubMed and 16 real-world graphs from the online Netzschleuder repository, we show that our proposed model outperforms state-of-the-art GDL link prediction techniques. Using further experimental evidence, we relate the quality of the output of our model with various characteristics of the graph, suggesting that our framework scales well when applied to data of increasing complexity.
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All authors Riccardo Porcedda, Francesca Chiaromonte, Fabrizio Lillo, Andrea Vandin