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Thursday 27 August

Machine Learning · Cross-listed from cs.MM

How AI Experiences Art: Emergent Aesthetic Structure in a Self-Supervised Multimodal Embedding Space

Aesthetics are an important part of the symbolism of artistic works. Although subjective, humans categorize art based on the emotion evoked regardless of modality. What remains under-explored is how AI models form their own aesthetic categorization of human-produced media without explicit labels or cross-modal supervision. We present a self-supervised framework that projects four modalities (text, audio, image and video) into a shared 256-dimensional embedding space and applies iterative clustering to discover aesthetic structure. We discuss the divergence between AI-generated cluster assignments and human affective register labels on a weakly supervised multimodal dataset. This work has applications in understanding how AI structures cross-modal similarity, organizing heterogeneous media collections for Retrieval-Augmented Generation (RAG), and automated data labeling.
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Machine Learning · Cross-listed from math.AC

Linear Independence of Polynomial Compositions and Identifiability of Deep Neural Networks

Motivated by theoretical problems in deep learning, we conjecture that post-composing a fixed number of pairwise distinct nonconstant polynomials with a generic polynomial of sufficiently large degree yields linearly independent polynomials. This generalizes Newman–Slater's theorem on powers of polynomials. We establish several cases of this conjecture and its origin-passing variant: We prove the result for two polynomials, and for an arbitrary number of polynomials when their degrees are bounded. Furthermore, we show how the conjecture implies a complete understanding of the identifiability (i.e., parameter symmetries) of deep fully connected neural network architectures with generic polynomial activation functions. In particular, for network architectures with layer-specific activations of increasing degree, our established versions of the conjecture fully characterize the set of parameters yielding the same end-to-end network function. As a special case, we fully resolve the identifiability of shallow polynomial networks.
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All authors Kathlén Kohn, Giovanni Luca Marchetti, Alex Massarenti, Massimiliano Mella

Machine Learning · Cross-listed from cs.CR

SecureDrive-FL: Joint Differential Privacy and Gradient-Aware Selective Homomorphic Encryption for Federated Driver Monitoring

Federated Learning (FL) enables privacy-aware distributed training, yet gradient updates remain exploitable: Man-in-the-Middle (MitM) interception exposes updates in transit, while model poisoning corrupts global convergence. We first introduce GASHE (Gradient-Aware Selective Homomorphic Encryption), a novel selective encryption strategy that dynamically identifies and encrypts only the gradient components exceeding a DP-calibrated sensitivity threshold, rather than encrypting all parameters uniformly as in static layer-based or full-parameter CKKS schemes. Building on GASHE, we introduce SecureDrive-FL, a federated driver monitoring framework that couples DP-SGD with GASHE to create the first closed-loop DP+HE privacy pipeline: DP-SGD calibration parameters directly derive the GASHE encryption mask, unifying training-time privacy and communication-time confidentiality. Evaluated on a ten-class distracted driver classification task under non-IID federated splits, SecureDrive-FL matches DP-SGD alone's poisoning resistance (73.6% vs. 74.0% accuracy, 3.9% Attack Success Rate for both) while additionally withstanding MitM interception, where DP-SGD alone collapses to near-random accuracy (78.2% vs. 10.4%), all under only approx. 8–10% additional runtime overhead relative to DP-SGD alone—under DP-SGD noise injection with per-round privacy parameter epsilon_0=4.
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All authors Baran Can Gül, Hanuma Siddhartha Tunuguntla, Anjana Arvind Naik, Abhishek Vijay Potekar, Nasser Jazdi, Michael Weyrich

Machine Learning · Cross-listed from stat.ML

Active Diffusion-Based Inference for Ill-Posed Inverse Problems under Incomplete Priors

Many scientific and engineering applications require estimating unknown parameters from experimentally observable data – an inverse problem that is inherently challenging due to nonlinearity, noise, and ill-posedness. In this paper, we propose an active diffusion-based inverse problem solver. A DM is trained to learn the mapping between the parameter space and the observable space. By iteratively detecting and correcting model misspecification through posterior uncertainty, the method discovers and learns the correct region of parameter space, even when initial training bounds exclude the true parameters. This provides a principled, Bayesian justification for adaptive domain augmentation and ensures robust inference for inverse problems under incomplete prior knowledge. We demonstrate the effectiveness of our inverse solver for a toy inverse problem with infinite solutions, and for the parameterization of the quantum correlation functions to event observables in a Quantum Chromodynamics analysis of nucleon structure.
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Machine Learning

Tabular Deep Learning for Algorithmic Trading: Cross-Regime Bayesian Optimisation for Equity Signal Generation

Algorithmic trading now represents a market exceeding $20 billion, where even marginal gains in signal robustness can translate into economically significant returns. Existing evaluations of equity prediction models do not explicitly target regime robustness during hyperparameter selection. Five model classes are trained on daily observations from approximately 300 large-cap US equities over eleven years, with Bayesian optimisation configured to target trading performance across three statistically different market regimes. Regime-robust hyperparameter selection is associated with out-of-sample generalisation, as signal precision remains above the random baseline across all four quarters of the test period, and portfolio performance slowly degrades under simulated input noise before collapsing beyond a defined threshold. No individual tabular deep learning architecture outperforms gradient-boosted trees, but combining XGBoost and TabNet using rank aggregation produces a Hybrid ensemble with an annualised return of 51.26%, a Sharpe ratio of 2.44, and a statistically significant CAPM alpha of 0.423 (p = 0.011). A near-zero beta indicates this outperformance is driven by stock selection, not market exposure. Alternative data plays a secondary role once technical and fundamental features are accounted for, as well as contributing more strongly on the short side than the long, and varies by model class. An interactive application makes these results explorable in real time, with live data integration the remaining step toward practical deployment.
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Machine Learning

Emotional Preferences as Goal-Priority Regulation

A core question in decision-making for agents is whether the relative priorities of competing lower-level objectives can be determined by emotional preferences autonomously generated by higher-level goals, rather than being externally prespecified. Under changing external environments and evolving internal states, emotions play an important functional role in regulating the relative priorities of competing goals. Inspired by the goal-directed theory of emotion, this paper studies how such preference regulation can be computationally realized through reinforcement learning. We first propose a conception of emergent emotional preference: a high-level goal autonomously induces state-dependent preferences over competing lower-level objectives. This conception is built upon a framework consisting of a multi-objective reinforcement learning inner controller and an outer preference generator. The inner controller provides a repertoire of preference-conditioned goal-directed behaviors, while the outer preference generator learns a mapping from the current state to objective preferences through reinforcement learning on a high-level goal. We operationalize emotional preference as a state-dependent regulation of relative goal priorities that emerges through optimization. Furthermore, we characterize the policy space induced by preference regulation and derive an upper bound on the optimality gap in terms of the representation error of the inner behavioral repertoire. We show that the gap vanishes when the optimal policy can be represented by the available preference-conditioned policies. Experiments in self-constructed multi-objective exploration environments show that the learned preference function exhibits contextual priority switching, graded trade-offs, and temporal persistence, and outperforms the evaluated fixed-preference and handcrafted-preference strategies.
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All authors Shiqi Liu, Yihua Tan, Hu Fu, Guanyu Qi

Machine Learning

Unifying Detection and Adaptation in Task-Free Continual Learning

To mitigate catastrophic forgetting in downstream continual learning (CL) for large language models (LLMs), existing methods typically constrain parameter updates or introduce task-specific adaptation modules. However, these methods often rely on explicit task boundaries during training, limiting their applicability to realistic task-free scenarios. In this paper, we propose a Fisher-guided unified (FiUni) framework for batch-level task detection and parameter-efficient continual adaptation. FiUni is motivated by a key observation about the Fisher information matrix (FIM) of pre-trained models: the orthogonality among the principal subspaces of its Kronecker-Factored Approximate Curvature (K-FAC) approximation, estimated from a small number of downstream task samples, can reflect the similarity between different tasks. Based on this observation, FiUni constructs FIM-derived frozen subspaces to guide low-rank adaptation (LoRA), while matching the Fisher principal subspace of each incoming batch window with historical subspaces. This enables FiUni to adaptively determine whether to reuse existing knowledge, expand a related subspace, or create a new subspace, dynamically balancing knowledge sharing and task isolation. Experiments show that FiUni can effectively infer latent batch-level task affiliations and achieve competitive performance against advanced task-aware CL methods with fewer trainable parameters.
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All authors Dezheng Han, Anbang Zhang, Zhihao Zhu, Shuaishuai Guo

Machine Learning · Cross-listed from cs.CV

Beyond Classification: Task-Dependent Learnability under Privacy-Motivated Image Transformations

Privacy-Enhancing Technologies (PETs) in computer vision often rely on noise or image perturbations to protect visual data while securely processing it, creating a trade-off between task performance and protection. This trade-off is commonly evaluated using image classification, which primarily captures semantic separability and remains robust despite significant geometric, spatial layout or local boundary alterations. As a result, it is too simplistic as a proxy for generic vision tasks. Exhaustive downstream-task evaluation, however, is computationally expensive because models must often be trained for each PET transformation and parameter setting. We therefore propose a compute-aware multi-task protocol for evaluating PETs in model training. It combines lightweight proxy tasks that target complementary aspects of visual structure while remaining simple and fast to compute. Across irreversible privacy transformations, key-based block primitives, and learnable image encryption schemes, we demonstrate that PETs with similar classification accuracy can differ substantially on other tasks. The outcomes highlight the need for PET evaluation protocols that move beyond classification-only reporting.
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All authors Leon Ranke, Wolfgang Hübner, Ronny Hug, Michael Arens, Jürgen Beyerer

Machine Learning

Soft Active Electromyography Interface for Machine Learning-Enabled Silent Speech Recognition

Silent speech recognition (SSR) provides an alternative communication pathway in the absence of audible speech. However, conventional approaches are limited by the need for constant facial attachment, privacy concerns, and unstable signal acquisition. Here, we propose a soft, active electromyography (EMG) interface that enables word-level SSR using machine learning. Worn on the hand, the device uses a fingertip electrode that can be positioned near the lips to acquire EMG signals only when needed. The interface integrates liquid metal (LM) interconnects, transparent flexible printed circuit (FPC) electrodes, and elastomer encapsulation to ensure high mechanical stability during finger motion. A deep neural network trained on these stable signals achieved a mean accuracy of 97.2 $\pm$ 1.3% across three subjects in classifying a 30-word vocabulary, demonstrating robust linguistic discrimination. Furthermore, real-time drone control validates the practicality of this approach in noisy and privacy-sensitive environments where conventional voice recognition fails. This study highlights the potential of soft, wearable EMG systems as secure and intuitive human-machine interfaces.
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All authors Yuta Kurotaki, Shusuke Yamakoshi, Reitaro Yoshida, Yutaka Isoda, Tamami Takano, Yuji Isano, Yusuke Miyake, Kentaro Kuribayashi, Hiroki Ota

Machine Learning

Performance Foundations of Parallel & Distributed Reasoning Language Models

Reinforcement Learning with Verifiable Rewards (RLVR) and other RL-style post-training paradigms have been used for aligning large language models (LLMs) with reasoning standards. The resulting recent Reasoning Language Models (RLMs) such as DeepSeek-R1, o3, and Kimi k1.5 show that such RL-style post-training ("RL-for-LLMs") can substantially improve chain-of-thought reasoning, long-horizon planning, and self-correction. However, the computational footprint of these systems is massive: state-of-the-art RLM training requires millions of GPU-hours and tightly coupled multi-model pipelines that stress modern hardware far beyond classical supervised LLM training. This makes RLM training as much a parallel and distributed systems problem as an algorithmic one. In this work, to facilitate developing RLMs that are simultaneously high-performance, scalable, and cost-effective, we first systematize the RL-for-LLM paradigm and provide a compute-centric analysis of prominent post-training algorithmic frameworks: Proximal Policy Optimization (PPO), Group Relative Policy Optimization (GRPO), as well as their variants. Second, we develop a taxonomy of intra- and inter-model parallelism strategies for RL-for-LLMs, covering both traditional techniques (data, tensor, pipeline, sequence, context, and expert parallelism) as well as novel forms of parallelism and optimization techniques for multi-model RLM training, for example disaggregated placement, stage fusion, hybrid parallelism, and asynchronous execution. We harness the work-depth model of parallel computing to make our taxonomy and its insights rigorous and portable. Finally, we analyze existing RLM frameworks and we distill practical guidelines and outline open research directions for building scalable, fast, and cost-effective RLMs.
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All authors Maciej Besta, Leonard Schmidt, Lara Nonino, Robert Gerstenberger, Pierre Pang, Patrik Okanovic, Ales Kubicek, Tiancheng Chen, Baraq Lipshitz, Torsten Hoefler

Machine Learning

Disentangling Optimization Scale from Preference Scale in DPO

Direct Preference Optimization (DPO) is a widely used objective for aligning language models from preference data, with the coefficient $\beta$ commonly interpreted as controlling the KL constraint to a reference policy. We show that $\beta$ entangles two distinct roles: it governs the effective inverse preference-noise scale and simultaneously rescales the optimization dynamics, coupling this scale with the effective step size. As a consequence, at a fixed learning rate the achieved policy deviation is non-monotone in $\beta$: it vanishes in a dead zone at small $\beta$, reaches a peak at an intermediate value, and decreases again for larger $\beta$. Moreover, standard DPO loss values are not comparable across $\beta$: runs with nearly identical loss curves can differ several-fold in KL divergence from the reference model. This entanglement obscures the role of $\beta$, increases sensitivity to hyperparameter choices, and complicates learning-rate scheduling. We propose a centered-softplus reformulation that is argmin-equivalent to DPO for $\beta>0$, while making the inverse preference-noise-scale and learning-rate effects explicit and independently tunable. The normalized centered-softplus objective also admits a continuous $\beta\to0$ endpoint that reduces to a linear preference-margin objective.
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Machine Learning · Cross-listed from cs.PF

FoldPipe: Bounded Remote Streaming of Native Molecular Shards with Asynchronous Prefetch

Training molecular machine-learning models on ephemeral or memory-constrained accelerator instances can require repeatedly retrieving preprocessed molecular graphs from remote storage. FoldPipe is a lightweight Python orchestration layer for already-sharded PyTorch and PyTorch Geometric data. It retrieves one shard ahead in a background thread while the consumer trains on the current shard, keeping the number of live shard payloads bounded with respect to total dataset size. Asynchronous prefetch and bounded buffering are established systems techniques rather than novel scheduling algorithms. FoldPipe's contribution is a small integration targeted at native .pt molecular shards together with a source-pinned empirical characterization of its operating regime. We evaluate a SchNet energy-and-force workload on MD17 aspirin using 20 paired, order-alternating benchmark passes on a Tesla T4. Each pass processes five pinned shards containing 25,000 structures. FoldPipe records 16.33 s mean I/O-compute overlap, compared with zero by construction for the sequential bounded baseline. Mean pass time is 76.78 s for FoldPipe and 83.37 s for the baseline. However, the geometric mean paired speedup is $1.059\times$ with a 95% bootstrap interval from $0.878\times$ to $1.288\times$. The experiment therefore verifies the overlap mechanism but is inconclusive about a reliable wall-clock speed advantage under the observed public-network variability.
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Machine Learning · Cross-listed from stat.ML

Representation Measurements Under Function-Preserving Reparameterizations

Hidden coordinates are not uniquely determined by a language model's input–output function, so representation-derived measurements should be invariant to function-preserving changes of basis. This study shows that column-permutation parallel analysis violates function-preserving reparameterization invariance because its reference distribution and selected component count can change while the model function and observed covariance spectrum remain fixed. More generally, a data-internal reference procedure cannot simultaneously preserve every coordinate marginal, remain orthogonally equivariant, and remove cross-coordinate covariance. Empirically, across five models, three retrieval domains, and 75 transformations, median component-count disagreement is 0.79 and median fixed-threshold decision disagreement is 0.26. A centering-only control isolates the reference-driven effect, with 1,141 of 1,200 component counts changing despite an unchanged observed spectrum, whereas independent parallel analysis seeds change none of the corresponding decisions. By contrast, orthogonally invariant comparator scores remain numerically stable with similar held-out discrimination. Together, these results show that parallel analysis-derived component counts and decisions can reflect hidden-coordinate choice rather than a well-defined property of the model.
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Machine Learning

Benchmarking_Fast_Domain_Adaptation_for_Unsupervised_Speech_Units

Representation learning has attracted great atten- tion and managed to reach good performances as a pretraining method for downstream tasks or as a first step towards unsu- pervised speech modeling. Yet, little is known about how such methods deal with out-of-domain speech and how could they be adapted in a few shot to new domains. This is important especially for accented speech where one observes a long tail of accents that diverge from the standard ones. We introduce ABX- Accent, a benchmark based on the AESRC dataset that features 10 different accents of English. It includes a small (< 10 hours) unlabelled training set in each of the accents and adaptations of the Zero Resources Challenge ABX evaluation metrics to each of the accents. We illustrate this benchmark with a baseline model that uses adaptive domain normalization to fine tune a pretrained Contrastive Predictive Coding model on the accents. This method is first developed on LibriSpeech using a male/female split. When applied to the new benchmark, the proposed method yields a relative improvement of 23.6% on across-speaker ABX scores on average compared to non adapted models. The data and metrics will be open sourced upon paper acceptance
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All authors Robin San Roman, Manel Khentout, Tu Anh Nguyen, Paul Michel, Yossi Adi, Emmanuel Dupoux

Machine Learning

Decentralized Multitask Learning over Learned Task Graphs

This paper investigates decentralized multitask learning over networks when the underlying task relationships are unknown. While existing graph-regularized multitask frameworks typically assume a known structure, practical settings often require learning inter-task dependencies directly from distributed data. We propose a decentralized two-phase strategy that first estimates a generalized graph Laplacian from noisy non-cooperative stochastic gradient iterates, and subsequently exploits the learned graph to enable cooperative multitask diffusion learning. This framework is motivated by a Gaussian Markov random field prior, which gives rise to a decentralized maximum likelihood estimator for the graph Laplacian. The analysis quantifies the Laplacian estimation error and its propagation to the steady-state performance of the multitask diffusion recursion, and introduces a topology sensitivity index to capture the effect of network heterogeneity. Simulation results corroborate the theoretical findings and demonstrate that cooperation enabled by the learned task graph significantly improves performance over non-cooperative learning, while approaching the true-graph baseline when the estimation stepsize is sufficiently small.
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Machine Learning

Terrain signatures in Welsh settlement names

Landscapes are named, but whether names retain measurable environmental information beyond broad geographic structure is rarely tested. We analysed 3,757 Welsh settlements using a frozen, source-audited 24-element lexical framework, preregistered outcome-specific models and geographically structured validation. The central comparison contrasted 101 settlements carrying high-terrain elements (bryn or mynydd) with 139 carrying low-terrain elements (cwm or pant). High-terrain names occupied locations 24.4 m higher relative to their 2-km surroundings (95% CI, 10.8–38.1 m; Holm-adjusted $p$ = 0.00137). The association remained positive across prespecified 1-, 2- and 5-km neighbourhood definitions and was reproduced using an independently produced elevation source (24.1 m; 95% CI, 10.6–37.6 m). Adding terrain-name polarity to a non-lexical spatial and settlement baseline reduced geographically held-out mean squared error by 4.63%, 6.22% and 7.30% under 10-, 25- and 50-km spatial blocking, respectively, although improvement varied among held-out regions. River-related names provided weaker, directionally consistent evidence, while the preregistered woodland model was non-estimable. Residual spatial structure, unresolved name language and the absence of independent external replication limit interpretation. Selected Welsh settlement-name categories therefore retain measurable information about present-day terrain within Wales, without establishing individual etymology, causal naming, historical environmental memory or transferability to other naming systems.
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Machine Learning · Cross-listed from stat.ML

Why not to use the Gaussian kernel

Kernels measure similarity or correlation in tasks such as regression and classification. The Gaussian kernel, other names of which include squared exponential and radial basis function kernel, is one of the most popular in Gaussian process regression. We argue that the Gaussian kernel is best avoided and should never be used as a default. The argument rests on two results demonstrating that the Gaussian kernel is extremely brittle. First, the Gaussian kernel gives rise to a conditional variance that is unrealistically small. If the variance is used to quantify predictive uncertainty, catastrophic overconfidence is almost inevitable. Second, a small variance goes hand in hand with numerical ill-conditioning, so that to use the Gaussian kernel in practice requires tricks such as nugget terms that effectively modify the underlying regression or classification model. These problems are caused by the unnatural smoothness of the Gaussian kernel, a fact we are far from the first to take notice of. The problem is not the Gaussian form itself but the analyticity of the kernel: Our argument is more broadly that analytic kernels are best avoided. For stationary kernels analyticity is essentially equivalent to an exponential decay of the spectral density.
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Machine Learning · Cross-listed from cs.CL

Squeezing More from Limited Data with Recursive Transformers

Pre-training under limited data requires a different view of scaling than web-scale language modeling. With a fixed data budget but relatively abundant compute, increasing parameter count helps only up to an optimal scale; beyond that point, models overfit and generalization worsens. We study this behavior across 10M-100M word pre-training budgets, two corpora, and multiple downstream evaluations, and find that optimal size depends strongly on both the data budget and the downstream target. We argue that standard Transformers scale down poorly to this setting, because embeddings consume a large fraction of the parameter budget and per-token computation is tied to representational capacity. To address this coupling, we study recursive Transformers, reusing a shared block across depth to scale compute, together with factorized embeddings to reduce vocabulary-map parameters. We train three recursive models and find that they outperform standard Transformers at 10M and 100M words, while remaining competitive with BabyLM Challenge 2025 winners.
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Machine Learning

TEMPLAR Wales: A georeferenced environmental and toponymic dataset of Welsh settlements

Place names provide persistent records of how landscapes have been described and organised, but their quantitative reuse requires explicit separation between mapped places, lexical annotations and environmental measurements. TEMPLAR Wales is a georeferenced environmental-toponymy dataset comprising 3,757 settlement records across Wales. The resource links a reproducible settlement frame to deterministic lexical screening and settlement-level environmental attributes through stable identifiers. It contains 1,350 lexical detections across 1,294 settlements, generated from a frozen registry of 24 Welsh place-name elements, while retaining exact- and prefix-token matches and their provenance separately. Environmental attributes describe river and coastal proximity, elevation and local terrain context at multiple spatial scales, land cover and neighbourhood woody cover, with parallel terrain measurements derived from independent elevation products. The dataset is distributed as four relational tables accompanied by a field-level data dictionary, source-provenance register and licensing metadata. Technical validation confirms relational integrity, deterministic lexical reconstruction, documented environmental coverage, strong agreement between independent terrain sources and reproducible reconstruction of the frozen release. TEMPLAR Wales provides a reusable foundation for research in toponymy, linguistic geography, historical and environmental landscape studies, GIS and spatial data analysis without treating computational lexical detections as verified etymologies or contemporary environmental measurements as historical landscape reconstructions.
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Machine Learning

ClusterAttention: A training-free speedup of bidirectional attention

We introduce ClusterAttention, a general training-free speedup of bidirectional attention at large token counts. We point out two common assumptions in contemporary training-free methods; attention sparsity, and context that can be leveraged, such as structure in the input or multiple similar forward passes, and show when they fail. Our proposed method utilizes a fast attention-aware recursive clustering method, and compensation of excluded clusters through their mean. The clustering method gives power-of-two cluster sizes, allowing block-sparse attention to match dense attention in GPU throughput. On TabPFN-3 arXiv:2605.13986, a model where none of the assumptions hold, ClusterAttention is to our knowledge the first method to provide a substantial speedup over the default attention, while consistently keeping over 99% of its accuracy. On the largest dataset from the TALENT benchmark suite, it makes processing of the training dataset close to 8x faster at nearly 11x attention speedup. ClusterAttention is also competitive with domain-specific methods, while avoiding any of the domain-specific engineering. On video-generation with Wan 2.1-T2V-14B arXiv:2503.20314 it produces output closer to dense attention at a larger speedup (1.8x vs 1.4x) than SVOO arXiv:2603.18636, a leading method in this domain, with both evaluated without offline calibration.
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Machine Learning

Graph-Based Pseudo-multimodal Contrastive Learning for 12-Lead ECG Representations

12-lead electrocardiogram (ECG) is a standard, non-invasive examination widely used for diagnosing coronary artery disease, where clinical interpretation relies on comparing waveform patterns across multiple leads. However, most existing ECG analysis methods focus on single-lead signals or treat each lead independently, and typically process ECG signals as one-dimensional time-series data using CNNs or RNNs. While effective in modeling local waveform changes, such approaches have difficulty capturing inter-lead dependency and global waveform patterns essential for clinical diagnosis. To address this limitation, we propose a graph-based pseudo-multimodal contrastive learning framework called Graph-CMMC. ECG waveforms are transformed into Gramian Angular Difference Field (GADF) images to construct complementary representations of the same cardiac activity, enabling a pseudo-multimodal learning setting. Using all 12 leads, Graph-CMMC aligns waveform and GADF representations in a self-supervised manner, while a graph-based relational module is employed to model inter-lead dependency and enforce structural consistency across leads during contrastive learning. Experimental results on a multi-label coronary artery occlusion classification task demonstrate that the proposed framework achieves competitive performance compared to supervised learning methods. These results further suggest the effectiveness of using GADF as a complementary representation and incorporating explicit graph-based modeling of inter-lead dependency for learning robust 12-lead ECG representations.
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All authors Mengyu Wang, Kozo Okada, Takafumi Goto, Natsuko Jinba, Hiroki Yamaya, Kiyoshi Hibi, Tomoki Hamagami

Machine Learning

Adversarial Training Without Input Gradients via Low-Rank Householder Expansions

This work concerns adversarial training against the small-norm adversarial examples that arise from the inherent input instability of a trained deep neural network. Examples in this class are small as measured in the relative $\ell^2$-norm, and therefore lie in the neighborhood of the input on which the model acts approximately linearly, the regime in which the perturbation remains imperceptible. We first show that such examples can be computed directly from the trained network parameters, without input gradient iterations, by means of a linearization called the low-rank Householder expansion (LRHE). The expansion describes the composed affine map rather than any individual layer, and the directions it identifies are read from the activation pattern already available in the forward pass. We then propose a simple adversarial training scheme built on this construction. No differentiation with respect to the input is performed at any point: training requires only additional forward evaluations, with weight parameters updated by the standard backward pass, and the inner maximization of the usual min-max formulation is eliminated entirely. That such a regularizer exists is our main finding: the methods that dispense with the inner search all obtain their local geometry by differentiating with respect to the input, and we show this is not necessary. The regularizer costs the equivalent of $2.8$ PGD steps per epoch, an $8.7\times$ reduction relative to 40-step adversarial training on MNIST and below the cost of 3-step training. The resulting models match three-step PGD adversarial training for relative $\ell^2$ budgets $\varepsilon \le 0.02$ and 40-step training for $\varepsilon \le 0.012$, falling away beyond, consistent with the locality of the expansion.
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Machine Learning

Packora: Systematic Design for Generative Molecular Crystal Structure Prediction

Molecular crystal structure prediction (CSP) is important in pharmaceuticals, agrochemicals, and organic electronics, where subtle differences in molecular conformation and packing can strongly affect material properties. We present Packora, a flow-based generative model for molecular CSP that jointly predicts atomic coordinates and the lattice from molecular graphs. Packora supports multi-component and organometallic crystals and can condition on any subset of molecular conformers, stereochemical labels, and space-group information within a single model. Inspired by the CCDC CSP blind test, we evaluate generation and ranking separately, using generation to isolate generator quality and ranking to measure end-to-end performance under a common relaxation and ranking pipeline. We also systematically study architecture, training, conditioning, inference, and scaling, identifying an effective design based on cacheable pairwise reasoning, training objective and numerical solver choices, conditioning dropout, and balanced scaling of pairwise and single representations. Packora outperforms the baselines on both structure generation and ranking benchmarks, achieving the best matched-budget coverage across all six generation benchmarks, as well as higher experimental-form recovery, lower experimental-form ranks, and faster convergence in ranking.
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Machine Learning

Alignment Matters Inside and Out in Equivariant Graph Flow Matching

Graphs are invariant under node permutations, motivating permutation-equivariant architectures in generative models. In flow matching, however, symmetry also affects the source-target coupling: one must choose both which graphs to pair and which node representatives to align. We study these two forms of alignment, termed outer and inner alignment, and their effect on equivariant graph flow matching. We connect inner alignment to transport on the graph quotient space, whose Euclidean quotient metric coincides with Gromov-Monge distance, and show that quotient couplings admit aligned representative lifts while symmetrization yields equivariant flow-matching minimizers, including for categorical endpoints. In practice, we compare random augmentation, permutation-blind minibatch optimal transport, approximate Gromov-Wasserstein alignment, and combinations of inner and outer alignment. Across continuous graph and molecular generation, alignment can substantially simplify trajectories and improve few-step generation, while its benefits depend on the alignment and computational budget. Our results highlight that effective graph flow matching benefits from alignment both inside and across graph pairs.
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Machine Learning

Scaling Model-Generated Distillation Data Can Make Latent Teacher Traits More Recoverable

Scaling model-generated data is usually viewed as improving distillation: more examples should increase coverage, reduce noise, and produce stronger students. We show a second effect: larger datasets can make subtle teacher-specific signals easier to detect in the trained student, even when examples are off-task and never mention the trait. In a controlled setup inspired by subliminal learning, a teacher induced to express a target trait generates restricted off-task data, such as number-only completions. Students trained on different amounts of independent off-task data are evaluated in a separate domain, with matched no-trait controls isolating target-specific transfer. Our main finding is that larger independent datasets make the teacher's induced trait stand out more clearly in the student's later behavior. Other plausible traits may also strengthen with scale, but the target usually grows more. When the small-scale student already favors the target, scaling mainly amplifies that behavior; when it favors a related or salient alternative, more data can shift behavior toward the intended trait. Analyses of learned LoRA updates show a parallel trend. These effects appear across model families, trait types, multi-trait settings, and cross-model transfer. Our results suggest that scaling generated distillation data should be paired with trait-aware curation and evaluation, even when the data appears off-task or benign.
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All authors Zhichen Dong, Zhixuan Liu, Yuyu Fan, Xiangtian Li, Shuyang Zhang, Chao Yang

Machine Learning · Cross-listed from eess.SY

Data-driven Koopman mode approximation: A neural power iteration algorithm

This paper proposes a novel data-driven algorithm to approximate the dominant eigenfunctions (aka.~modes) of the Koopman operator of nonlinear dynamical systems using neural networks. The relevance of learning the dominant Koopman modes is to approximate nonlinear dynamics by linear ones in a lifted space, thereby enabling simplified control and analysis. To fight the curse of dimensionality arising from using expressive templates (here neural networks) for the mode approximation, the proposed method leverages a power-iteration scheme that directly learns the dominant Koopman modes without explicitly constructing the projection of the Koopman operator on the template of functions. Our approach connects to other approaches in the literature that avoid the curse of dimensionality by learning small dictionaries of functions, but differs from them in that we do not require “anti-collapse mechanisms” to ensure that the learned dictionary is expressive enough to approximate the Koopman operator since our power-iteration scheme is designed to converge toward the dominant modes of the projected Koopman operator. The approach is fully data-driven, requiring only sampled state transitions. Theoretical guarantees are provided, showing convergence under increasing sample size and network width (in connection with the neural tangent kernel theorem). Numerical experiments demonstrate that the method achieves accurate and smooth approximations of dominant modes while avoiding the limitations of traditional techniques such as extended dynamic mode decomposition.
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Machine Learning

A Layer Importance Metric for Quantization Accounting for the Speed-Quality Trade-off in Autoregressive Models

Small language models (sLLMs) are nowadays hosted on devices with limited memory and computational budget. In an autoregressive setup, inference is memory-bandwidth bound: uniform quantization is often detrimental to such models, since their architecture has limited redundancies and only a few layers are not very sensitive to lower precision. We propose a composite metric that combines two orthogonal criteria: information retention (measured in terms of a normalized SQNR-based coefficient) and throughput gains (modeled using a roofline-based latency analysis). By profiling Gemma 3 1B, we find that Feed-Forward Network blocks and the embedding matrix are the most promising targets for acceleration. For each candidate, we estimate a normalized quality score based on simulated quantization and a normalized speed score based on roofline modeling with no actual execution needed. We combine the two scores in a composite priority coefficient, allowing us to tune the trade-off between speed and quality as needed. Our metric is general and can be used to prioritize individual blocks, their projection sublayers, or transformer layers as a whole. We evaluate our approach on several model architectures, showing that our estimates have at around 4% prediction error for the accelerated speedup. We find that our method generally allocates more resources to the most expressive layers compared to evolutionary search, specialized accelerators, or Shapley-value-based approaches that require expensive approximate inference. Our analytical approach makes sLLM quantization a predictable engineering task.
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Machine Learning · Cross-listed from physics.med-ph

Dose-PlanNet: Physics Based Radiotherapy Dose Prediction with Deep Learning

Automating prostate radiotherapy treatment planning is dosimetrically complex, particularly for extreme hypofractionated regimens. In this study, we introduce Dose-PlanNet, a physics-guided 3D deep learning architecture designed to predict dose distributions. This model's performance was evaluated on a cohort of patients treated in a prospective trial where two different dose fractionation regimens were employed. Dose-PlanNet achieved comparable target coverage ($D_{95}$), though statistical analysis revealed a marginal reduction in target homogeneity ($p<0.001$) offset. However the model achieved statistically significant improvements in high-dose organ-at-risk sparing ($p<0.001$). When evaluated against strict Prospective Randomized protocol volumetric constraints, automated plans met prespecified clinical acceptance criteria in $11$ out of $14$ Moderate Hypofraction Arm plans and $9$ out of $12$ Stereotactic Body Radiation Therapy Arm plans. This pipeline demonstrates that physics-informed deep learning can accelerate radiotherapy workflows while safely maintaining the stringent dosimetric quality required for high-precision clinical deployment.
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All authors Ankit Bhattacharjee, Sougata Maity, Santam Chakraborty, Indranil Mallick

Machine Learning

Mitigating Strong-Modality Collapse in Multimodal Learning via Inverted Asymmetric Fusion

Fusing multiple modalities is expected to improve model performance. However, on the MultiHuSE dataset, early, late, and symmetric attention fusion often fail to outperform the best unimodal baseline (text). Pathway isolation of a symmetric attention fusion model reveals that the text-pathway accuracy drops from 74.9% to 56.4% after fusion in one such setting, indicating that the dominant modality can be degraded during integration. We term this strong-modality collapse and argue that it helps explain why some multimodal models fail to surpass unimodal baselines. We propose Inverted Asymmetric Fusion (IAF), which avoids forcing mutual attention across modalities. The dominant modality is preserved by passing through fusion unchanged, while weaker modalities attend to it as a contextual anchor. Before fusion, weaker modalities are strengthened using Modality-Aware Knowledge Distillation. We evaluate IAF on three benchmarks with different modality hierarchies: text-dominant datasets (MultiHuSE, UR-FUNNY) and an audio-visual-dominant dataset (MUStARD). Pathway isolation shows that IAF preserves the dominant modality's internal accuracy at its unimodal ceiling across all tested configurations, whereas symmetric fusion degrades it by up to 18.5% on MultiHuSE. IAF improves over the strongest unimodal baseline by up to 8.25%.
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Machine Learning

Contact Geometry and Covariance Deficits in Volume-Sampled Least Squares

We classify when ordinary fixed-size volume sampling followed by unweighted least squares attains its sharp coefficient-covariance ceiling on a fixed design. For a real whitened design without coloops and a fixed positive-loss residual, the contact space is unchanged at every strict-interior sample size. Its possible nonzero values form a finite orthogonal family: each maximal parallel class of normalized Naimark-complement rows determines a deletion nullspace of dimension one less than the class size. A single residual attains an entire query precisely when the query range lies in one class space. The proof starts from two-sided Loewner comparison of every normalized covariance deficit with an explicit leave-one-out operator, using supported omission moments and reverse deletion. Residual augmentation provides resolvent and second-moment upper bounds, while complement geometry yields query-specific margins, angular concentration, local alignment, and a multi-output energy obstruction. Exact families give closed-form margins and covariances, exhibit support-boundary jumps, and approach the ceiling despite a uniformly positive geometric margin. Finally, the same moment identities give upper and lower bounds on expected fixed-query squared-loss excess. The subset draw is the only randomness; all support and endpoint restrictions are explicit.
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2608.26877 · 27 Aug · 55 pages. Revised title and substantially reorganized theoretical exposition. Includes contact-space and whole-query classification, all-size leave-one-out covariance-deficit comparisons, quantitative contact geometry, and query-risk bounds, with proofs, exact constructions, and ancillary exact-arithmetic checks