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SHAKE-GNN: Scalable Hierarchical Kirchhoff-Forest Graph Neural Network

Graph Neural Networks (GNNs) have achieved remarkable success across a range of learning tasks. However, scaling GNNs to large graphs remains a significant challenge, especially for graph-level tasks. In this work, we introduce SHAKE-GNN, a novel scalable graph-level GNN framework based on a hierarchy of Kirchhoff Forests, a class of random spanning forests used to construct stochastic multi-resolution decompositions of graphs. SHAKE-GNN produces multi-scale representations, enabling flexible trade-offs between efficiency and performance. We introduce an improved, data-driven strategy for selecting the trade-off parameter and analyse the time-complexity of SHAKE-GNN. Experimental results on multiple large-scale graph classification benchmarks demonstrate that SHAKE-GNN achieves competitive performance while offering improved scalability.

cs.LG

On a Geometry of Interbrain Networks

Effective analysis in neuroscience benefits significantly from robust conceptual frameworks. Traditional metrics of interbrain synchrony in social neuroscience typically depend on fixed, correlation-based approaches, restricting their explanatory capacity to descriptive observations. Inspired by the successful integration of geometric insights in network science, we propose leveraging discrete geometry to examine the dynamic reconfigurations in neural interactions during social exchanges. Unlike conventional synchrony approaches, our method interprets inter-brain connectivity changes through the evolving geometric structures of neural networks. This geometric framework is realized through a pipeline that identifies critical transitions in network connectivity using entropy metrics derived from curvature distributions. By doing so, we significantly enhance the capacity of hyperscanning methodologies to uncover underlying neural mechanisms in interactive social behavior.

q-bio.NC

Off the Normal Path: Learning Spatial Density Models of Node Mobility

We consider the problem of learning models of spatial density functions, representing the steady-state density of mobile nodes moving on a two-dimensional terrain. Deriving such models can assist in network design and optimization problems, e.g., by accelerating the computation of the density function during a parameter sweep. We address the question of applicability of off-the-shelf mixture density network models and of, two varieties of, normalizing flows for the description of mobile node density over a disk. We introduce the use of Möbius distributions to retain symmetric spatial relations. Our results indicate that mixtures of Möbius distributions provide interpretable, parsimonious models for the studied steady state density distributions, that match or outperform the alternatives.

cs.NI

Conformal Risk-Averse Decision Making with Optimized Certainty Equivalent Risk Control

We study risk-averse decision making, in which an agent selects actions while being uncertain about the true system state. The risk is measured via optimized certainty equivalent (OCE) metrics, which generalize popular criteria such as mean-variance risk and conditional value-at-risk (CVaR). We characterize the optimal policy under known distributions, and show that it reduces to a prediction set-based solution for the CVaR. This provides an operational interpretation of conformal prediction-type prediction sets. For unknown distributions, we develop a data-driven calibration strategy, based on a synthetic model for the likelihood and held-out calibration data, yielding high-probability control of the OCE risk. The approach is evaluated on two wireless beamforming settings.

stat.ML

Accelerate Vector Diffusion Maps by Landmarks

We propose a landmark-constrained algorithm, LA-VDM (Landmark Accelerated Vector Diffusion Maps), to accelerate the Vector Diffusion Maps (VDM) framework built upon the Graph Connection Laplacian (GCL), which captures pairwise connection relationships within complex datasets. LA-VDM introduces a novel two-stage normalization that effectively address nonuniform sampling densities in both the data and the landmark sets. Under a manifold model with the frame bundle structure, we show that we can accurately recover the parallel transport with landmark-constrained diffusion from a point cloud, and hence asymptotically LA-VDM converges to the connection Laplacian. The performance and accuracy of LA-VDM are demonstrated through experiments on simulated datasets and an application to nonlocal image denoising.

stat.ML

A Target-Centric Survey of Quantization-Aware Training

The rapid development of LLMs incurs prohibitive memory footprints and intensive computational demands. Quantization-Aware Training (QAT) techniques have emerged as a promising solution to address these challenges by explicitly simulating quantization effects during model training, yielding low-bit models that achieve accuracy comparable to their full-precision counterparts. In this work, we provide a target-centric survey of QAT, aimed at clarifying both its theoretical foundations and its evolving implementation landscape. We systematically review existing QAT methods through a target-centric taxonomy and synthesize cross-target differences in error characteristics, numerical formats, and strategy transferability. We further summarize QAT evaluation paradigms and discuss challenges in optimization and deployment, outlining potential directions for future research.

cs.LG

On the Instance Hardness as a Decision Criterion in TinyML Systems

TinyML includes the implementation of machine learning on devices with limited memory and computing resources. With the development of technology, AI systems continue to scale in terms of size and computational requirements. This forces researchers to adapt methods to be environmentally sustainable by designing techniques for reducing computational costs and energy consumption in inferring AI models, even in small devices. In this work, we present preliminary findings on a novel application of the tree depth prune instance hardness method to the TinyML system. The results indicate that threshold control can change energy consumption with limited classification quality changes. This method allows us to adjust classification accuracy, thereby influencing computational complexity and energy consumption for inference. We present a work in progress with initial results as a proof of concept.

cs.AI

Graph Representational Learning: When Does More Expressivity Hurt Generalization?

Graph Neural Networks (GNNs) are powerful tools for learning on structured data, yet the relationship between their expressivity and predictive performance remains unclear. We introduce a family of premetrics that capture different degrees of structural similarity between graphs and relate these similarities to generalization, and consequently, the performance of expressive GNNs. By considering a setting where graph labels are correlated with structural features, we derive generalization bounds that depend on the distance between training and test graphs, model complexity, and training set size. These bounds reveal that more expressive GNNs may generalize worse unless their increased complexity is balanced by a sufficiently large training set or reduced distance between training and test graphs. Our findings relate expressivity and generalization, offering theoretical insights supported by empirical results.

cs.LG

A Simple Transformer Pipeline for Full-Key Side-Channel Attacks on Uncropped Datasets

Deep learning-based side-channel analysis has historically focused on single-byte targets and manually cropped traces, which risks discarding exploitable leakage. While recent work has proposed specialized architectures and resampling techniques to address this gap, the literature lacks a simple transformer baseline for simultaneous full-key attacks on uncropped traces. We present an open-source transformer implementation for uncropped full-key attacks which uses the standard transformer encoder backbone, adapting only the input and output layers to the side-channel setting. We release our implementation, training recipes, and pretrained weights for uncropped ASCADv1f, ASCADv1r, and CHES-CTF-2018 which achieve performance competitive with previously-reported results, while using less than 10GB of VRAM and requiring at most 3.34 hours of training on a single NVIDIA A6000.

cs.CR

Towards an Expressivity-Normalized Energy-Demand Comparison of ANNs and SNNs

Spiking neural networks (SNNs) are often regarded as energy-efficient alternatives to artificial neural networks (ANNs), yet their advantage depends critically on both network architecture and data properties. We develop an analytical framework to compare fully-connected ReLU ANNs and integrate-and-fire SNNs for time-series data with respect to their theoretical energy efficiency at matched expressive capacity. By relating an inference-energy model to theoretical bounds on representational expressivity, we derive an expressivity-normalized efficiency ratio and explicit thresholds in network width, spike sparsity, and ANN depth scaling. Our analysis characterizes the regimes in which event-driven computation offsets the temporal overhead of SNNs, providing capacity-aware principles for designing energy-efficient temporal networks. It shows that ANNs exceed SNNs in expressivity-normalized efficiency only in specific regimes.

cs.LG

No Equivariant Architecture Covers All Equivariant Attention

We give a complete characterization of equivariant multi-head self-attention (MHSA): if an MHSA layer is equivariant to a symmetry group $G$, then $G$ can only act by permuting head-clusters, with QK and OV matrices satisfying an equivariance constraint tied to the group action. As a consequence, we prove that any fixed MHSA architecture that achieves exact equivariance by polynomially parameterizing unconstrained MHSA parameters inevitably leads to expressivity loss within the class of equivariant maps: the equivariance locus of unconstrained MHSA forms a union of extremely many Zariski-irreducible components in a reduced parameter space, and any single architecture covers at most one. For $G=D_4$ acting on $C$ copies of the regular representation as the token feature space, we show that there are $Ω(C^{64})$ components for eight attention heads.

cs.LG

Rethinking Speaker Embeddings for Speech Generation: Sub-Center Modeling for Capturing Intra-Speaker Diversity

Modeling speech variation is key to natural, expressive generation. Speaker embeddings are commonly used to condition personalized speech systems, but they are typically trained for speaker recognition, where intra-speaker variability is suppressed and inter-speaker separation is maximized. This objective leads to overly compact representations that may discard variations crucial for generation. We revisit this design choice and propose a sub-center modeling framework for speaker embeddings. Instead of a single prototype per speaker, we learn multiple sub-centers during discriminative training, allowing utterances to align with different prototypes. This strategy preserves structured intra-speaker variability while maintaining discriminability. In zero-shot voice conversion, our method improves intelligibility, increases pitch variability, achieves higher naturalness ratings, and retains strong speaker verification performance.

eess.AS

ORDDAR: Observation-Driven Reasoning for Distortion-Resilient Decision, Action, and Cognitive Recovery

AI agents increasingly perform long-term reasoning, planning, tool use, memory integration, and autonomous decision making, yet erroneous intermediate states can propagate and cause inconsistent decisions and unreliable outputs. Existing reasoning approaches mainly rely on iterative planning, self-reflection, augmented memory, or verification, but rarely localize and selectively repair faulty reasoning. We present ORDDAR (Observation-Driven Reasoning for Distortion-Resilient Decision, Action, and Cognitive Recovery), a reasoning framework that models reasoning as cognitive state transitions, detects localized distortions, retrieves related reasoning from prior experiences, and repairs only the affected states. ORDDAR therefore performs recovery at the local reasoning-transition level rather than regenerating the complete trajectory. Experiments across mathematical, commonsense, multi-hop, and clinical reasoning benchmarks demonstrate improved reasoning quality, recovery ability, and interpretability over multiple evaluated reasoning baselines.

cs.AI

Robust Multi-Agent LLMs under Byzantine Faults

Large language model (LLM) agents increasingly collaborate over peer-to-peer networks to improve their reliability. However, these same interactions can also introduce vulnerability to unreliable or Byzantine agents that can propagate incorrect information and degrade overall system performance. To address this, we propose Self-Anchored Consensus (SAC), a fully decentralized filter-and-refine protocol in which agents iteratively exchange responses, locally evaluate and filter unreliable messages, and refine their own outputs. We present $(F{+}1)$-robustness conditions on the communication graph that ensure honest agents preserve and propagate reliable information despite Byzantine influence. Experiments across diverse open- and closed-weight LLMs on mathematical and commonsense reasoning benchmarks show that SAC effectively suppresses Byzantine influence and consistently improves performance across diverse communication topologies, whereas prior methods degrade significantly under Byzantine attacks.

cs.MA

Learning a Size-Weight Frontier for Synthetic-Augmented Inference

Synthetic data can improve statistical inference when real data are scarce, but naively treating synthetic samples as real data can introduce bias and lead to unreliable inference. We develop a general framework for synthetic-augmented inference across a population of related tasks. It characterizes synthetic augmentation by the number of synthetic observations and their weight. Central to our framework is a size-weight frontier that specifies, for each weight, the largest synthetic sample size for which all smaller sizes attain the target task-marginal coverage. We estimate this frontier from historical tasks, and establish a finite-sample coverage guarantee simultaneously for all size-weight configurations on or below the estimated frontier. In experiments using large language model responses to augment opinion survey data, our procedure achieves target coverage and substantially narrows confidence intervals.

stat.ME

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

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

cond-mat.mtrl-sci

AdaptAV: Continuous Adaption of Vision Models for Autonomous Vehicles Using Cloud-based Oracle

Deploying vision perception models in autonomous vehicles requires that we prioritize inference speeds, resulting in a model with shallower architectures and lesser model parameters (i.e., more pruned). Such small models do not generalize well, which could result in poor performance when encountered with novel scenarios. We propose a system that overcomes this by continuously retraining the vision models on the cloud with data uploaded by vehicles. We leverage the abundant compute resources, including machine learning accelerators, of the cloud to run a highly-accurate oracle model that will guide the retraining process of the on-vehicle model. This newly trained model is transmitted to the vehicle over the network and is utilized by the vehicle for perceptions, leading to improved inference accuracy over time.

cs.CV

Node-wise Feature Encoding for Neural Performance Prediction

As neural networks are increasingly deployed on resource constrained edge devices, accurate prediction of latency and energy is critical for efficient neural architecture search. Existing GNN and transformer based predictors achieve strong results but largely ignore node-level computational cost, limiting their ability to model performance critical operations. To address this, we introduce FeatureFormer, a neural performance predictor that incorporates explicit node-wise encodings of FLOPs, parameter counts, and memory proxies within a gated graph attention architecture. We also present NNEQ, a new large-scale energy consumption dataset that enables unified evaluation of latency and energy prediction. Extensive experiments demonstrate that FeatureFormer achieves state-of-the-art performance across both metrics, including challenging out-of-domain settings. Finally, we show that the proposed encoding is broadly applicable and consistently improves existing predictors with negligible overhead.

cs.LG