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Computer Science Machine Learning

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Friday 25 September

Machine Learning

Integrating Language Models into Listened and Imagined Speech Decoding from MEG

Decoding imagined speech is an important goal for brain-computer interfaces but remains challenging due to weak neural responses, low signal-to-noise ratio, and limited imagined-speech datasets. Language models provide strong contextual cues for text prediction, but how much they can help neural decoding and whether their contribution differs for decoding perceived and imagined speech remains unclear. To investigate this, we use a paired listened-imagined MEG dataset and incorporate language-model information at two stages. First, we train a contrastive neural decoder that aligns MEG representations with acoustic and contextual language representations, improving cross-subject word decoding for both listened and imagined speech. Second, at inference, we introduce a neural-constrained beam-search framework that combines neural evidence with language-model next-word probabilities. We find that imagined-speech decoding benefits more from the language model than listened-speech decoding. For Imagined speech, the best-performing balance between neural and language-model evidence shifts toward the language model, and the gain over neural-only decoding is larger. Together, these results suggest that language priors are most useful when neural evidence is weaker, making them particularly valuable for imagined-speech BCIs.
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All authors Maryam Maghsoudi, Sai Samrat Kankanala, Shihab A. Shamma, Sriram Ganapathy

Machine Learning

Can Circuit Alignment Predict OOD Generalization?

Can out-of-distribution (OOD) generalization be predicted from a trained model's weights alone, without any target-domain data? Existing representational similarity metrics (CKA, SVCCA, RSA) compare activations rather than forecast generalization. We show they are provably insensitive to structural rerouting in the computational graph, the very change distribution shift induces. We close this gap with the Circuit Alignment Score (CAS), which compares class-specific circuits across domains via graph kernels, decomposed into same-class coherence and cross-class confusion. Casting CAS as a Lebesgue integral over the domain distribution, we prove its Monte Carlo estimate recovers the ground-truth ranking of learners by OOD accuracy, with pairwise inversion error vanishing at rate $O(1/M)$, where $M$ is the number of sampled domains. Across $48$ learners on PACS, CAS attains $0.88$ rank correlation with OOD accuracy, versus $0.58$ (CKA), $0.23$ (SVCCA), and $0.14$ (RSA), with similar trends on other benchmarks and even against data-dependent methods, making it the first provably consistent predictor of distributional robustness requiring neither target-domain data nor labels. The code is available at: https://github.com/ayanban011/ACE
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All authors Ayan Banerjee, Abhra Chaudhuri, Josep Llados, Umapada Pal, Anjan Dutta

Machine Learning · Cross-listed from gr-qc

Identifiability Limits of Gravitational Wave Phase Deviations: Multiclass Classification with a Multihead Neural Network

We study how well gravitational-wave phase deviations can be identified using a neural network with classification and regression heads. The classification head distinguishes general relativity (GR) from six parametrized post-Einsteinian phase families with exponents $b\in\{-7,-5,-3,-1,+1,+2\}$; the regression head predicts the logarithm of the coupling magnitude, $\log_{10}|\beta|$. The network input is a response function quantifying the sensitivity of waveform mismatch to waveform deformations. We use stationary Gaussian noise with the Advanced LIGO design spectrum for 262 sources and a measured Hanford spectrum from the third observing run (O3) for 132 sources, and also test injections into recorded Hanford strain. On the two Gaussian datasets, the network identifies the exponent of deviations clearly above the noise with accuracies of $0.427$ and $0.329$. To interpret these results, we compare the network with an approximate classifier built from predicted waveform residuals for the six phase families and same sources. The two classifiers often confuse the same families. Examining residuals left by different phase corrections, we link these errors to similarities between the underlying deviations. On selected recorded Hanford strain, networks trained on simulated or recorded noise achieve overall classification accuracies close to those on simulated Hanford noise. Of thirteen neural-network variants tested on the Advanced LIGO design dataset, the recurrent network has the highest mean classification accuracy for loud deviations, although all variants remain below the approximate classifier. The network nearly matches that classifier's accuracy, indicating that identification is limited by similarities between neighboring phase families rather than by the network, for known intrinsic source parameters.
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Machine Learning

Mechanistic Interpretability Reveals Shared Causal Subspaces in Brain-to-Speech Decoders

Decoding covert speech, such as mimed or imagined, from brain activity is harder than decoding vocalized speech. Cross-modal transfer, where information from one speech form helps decode another, is a promising remedy; yet how a decoder internally represents and processes brain activity from different speech forms remains unclear. In this work, we ask: which internal neurons of a decoder carry cross-modal information, and are these neurons shared across different speech forms? To answer these questions, we leverage mechanistic interpretability, using recordings of the same sentences in vocalized, mimed, and imagined input pairs for activation patching. We insert the decoder's internal activity for a sentence in one condition into its processing of the same sentence in another and measure the change in decoding accuracy. We find that no single neuron drives this benefit; instead, it arises from small groups of neurons, with vocalized speech as the most useful source. These groups are largely condition-specific in the early stage of the decoder but overlap in the later stage. These findings point toward more data-efficient covert speech decoders through training objectives that encourage shared later-stage representations learned mainly from vocalized data.
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Machine Learning · Cross-listed from cs.CL

Communication between Frozen Large Language Models via Prompt Optimization in a Referential Game

We study communication between two frozen large language models from different providers, with different tokenizers, accessed through their API endpoints. The two play a referential game: one sees an object and describes it in a short fixed-length message over a small alphabet; the other must pick that object out of a candidate set. Neither model's weights are updated. Each agent's prompt is rewritten by an isolated prompt optimizer whose reflection model reads that agent's scored interactions. In the positional setting, optimized prompts carry a shared code that generalizes to held-out objects above a measured no-codebook baseline, including when the memory window is removed. In a second setting, independent per-letter blocks no longer fit within the message, although a whole-object place value code does. The base system fails to establish reliable communication: the sender struggles to retain an injective rule, and the receiver has too few confirmed examples in view. A sender collision penalty, retention of successful interactions, and sequential optimization enable successful place value communication in some runs. Outcomes vary across runs and reflection models. In successful runs, the protocol is written into the optimized prompts, where it can be read and audited directly.
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Machine Learning

Lagrangian and Hamiltonian Neural Networks With a Dissipative System

We investigate the applicability of Lagrangian and Hamiltonian Neural Network models to a dissipative system that has explicit time dependence in its Lagrangian, Hamiltonian, and total energy. To do so we consider these neural network models for simulated systems of a harmonic one-dimensional, one-component oscillator with damping, as well as without damping for comparison. We find that both the Lagrangian and Hamiltonian approaches are able to predict the empirical physical behavior of the damped oscillator systems and to effectively “learn” to varying degrees the underlying Lagrangians and Hamiltonians, as has previously been shown to be the case with undamped oscillator systems. These investigations elucidate important properties of Lagrangian and Hamiltonian mechanics, including properties that are not manifest when considering systems without explicit time dependence.
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Machine Learning

Understanding the Subspace Stabilization of the Hessian and Gradient Covariance Matrix

The phenomenon of the top subspace stabilization of the Hessian matrix is an surprising and critical aspect in study of the second-order information of neural network training. Prior work argues that the top subspace of the Hessian stabilizes by measuring the overlap between the top subspaces of the step-wise Hessian, and explains this stabilization with diminishing parameter change in the late phase of training. In this paper, we define a new instability metric for the subspace evolution, and use it to detect subspace stabilization that is independent of the magnitude of parameter change. In the meantime, we observe that the gradient covariance matrix has a similar property of its top subspace to the Hessian. By using a between-class and within-class decomposition of the gradient covariance matrix, we identify an explicit form that gives a near-perfect approximation of the top-$(C-1)$ subspace of the Hessian and the gradient covariance matrix. In the gradient flow set-up, we show that the slow evolution of the idenfied approximation is due to the separation between the outlier and the bulk eigenvalues of the Hessian matrix, thus providing an explanation to the phenomenon of the top subspace stabilization of the Hessian matrix.
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Machine Learning · Cross-listed from cs.CR

Evasion Attacks on Cost-Utility-Based Adversarial Training for Online AutoML in IoT Networks

As Internet of Things (IoT) networks increasingly depend on machine learning for anomaly, malware, intrusion detection, and network monitoring, such systems have become attractive targets for evasion attacks. Evasion attacks pose a major security risk because an adversary intentionally modifies input data to mislead a trained model into producing incorrect predictions while evading detection. This study evaluates the impact of black-box evasion attacks on a cost-utility-based adversarial training defense strategy in an Online AutoML context for IoT networks. Specifically, evasion attacks were applied to online learners, including Hoeffding Tree (HT), Leveraging Bagging (LB), Streaming Random Patches (SRP), Hoeffding Adaptive Tree (HAT), and Adaptive Random Forest (ARF). By developing naive and adversarially trained (AT) versions of these online learners, we generated clean and adversarial accuracies for each model. The results show that the AT versions of LB and SRP performed best, achieving the highest adversarial accuracy (0.985) and high clean accuracy (0.993) at the highest cost budget of 1.00, with a maximum accuracy reduction of only 0.8%. Finally, drift detection was conducted using the Early Drift Detection Method (EDDM).
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All authors Chukwunonso Henry Nwokoye, Wajiha Zaheer, Khalil El-Khatib, Li Yang

Machine Learning · Cross-listed from stat.ML

Bridging Stochastic Flow Maps and Boltzmann Generators with Normalizing Flows

Generating independent, equilibrium samples of molecular systems at scale remains a central obstacle in computational statistical mechanics. Boltzmann Generators address this by pairing a generative model with importance sampling to obtain consistent samples from the target distribution. We introduce Normalizing Flow Flow Maps (NF$^2$M), which combines the strengths of recent stochastic flow maps with the tractability of classic normalizing flows to build a Boltzmann Generator. Unlike most methods, which correct the generative model only at the end, NF$^2$M reweighs each denoising transition as generation proceeds, avoiding wasted compute on trajectories that are ultimately discarded. At each denoising step, a conditional normalizing flow proposes clean configurations given the current noisy state (a simpler task than sampling directly from the target) and its exact likelihood enables correcting each proposal toward the true denoising transition of the target Boltzmann distribution. This is in contrast to most existing methods, whose likelihoods are approximate or expensive to evaluate, undermining the statistical reliability of the correction. We establish consistency of the corrected transitions and bound how approximation errors propagate through the sampling chain. We evaluate NF$^2$M on peptide systems, demonstrating improved sampling efficiency and sample quality.
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Machine Learning

Model Casting and Low-Parameter Gating: Towards More Sparsely Activated FFNs

This paper introduces model casting, a mid-training recipe that drastically sparsifies the activations within the Feed-Forward Network (FFN) layer. With this strategy, at inference time, we first compute the output of the gating matrix and, thanks to its high sparsity, we avoid computations with the two other matrices, reducing the FLOP count by up to 3x. While this theoretical speedup is an upper bound, model casting translates into significant speedups both on CPU and GPU. We then introduce LoPA Gating, a new FFN design that increases the maximum theoretical speedup. It is a low-FLOPs parameterization of the gating matrix that overcomes the 3x cap by allocating fewer FLOPs and parameters to the gating matrix, compared to the two other FFN matrices that are sparsely activated. We consider two cases: (i) we cast a pre-trained model with a sparsity inducing activation; (ii) we train with LoPA from scratch. In all settings, we significantly outperform existing pruning solutions and regular RELU-fication. For instance, at matched quality, we achieve a 3.2x FLOP speedup with LoPA Casting, against 1.6x at best for competing methods top-p and TEAL. Using dedicated kernels, we achieve an actual 3.31x speed-up on GPU at 90% sparsity, past the 3x ceiling of standard gating; RELU-fication, meanwhile, plateaus below 80% sparsity.
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All authors Maria Lomeli, Antoine Groudiev, Matthijs Douze, Loïc Cabannes, Pierre Emmanuel Mazaré, François Fleuret, Maximilian Beck, Gergely Szilvasy, Naila Murray, Hervé Jégou

Machine Learning · Cross-listed from cs.NE

SNIP++: Fine-Grained Symbolic-Numerical Alignment for Symbolic Regression

Mathematical expressions and the numerical behavior they produce are two views of the same underlying function, and connecting them is central to scientific discovery. Symbolic Regression (SR) relies on this connection directly: it searches for an expression that reproduces a given behavior. Recent multi-modal models learn this connection by embedding symbolic expressions and their numerical behavior in a shared representation space. We show that this embedding space is only globally aligned: complete expressions correspond to complete behaviors, but the contribution of individual parts of an expression is not represented. This granularity gap leaves the model unable to tell how a local edit to an expression changes its behavior, the central operation in SR. We introduce a compositional alignment method that closes this gap: a structural positional encoding exposes the substructure of an expression to the encoder, and a multi-granularity contrastive objective grounds each subexpression in the behavior it produces before propagating this grounding to the full expression. The resulting representations close much of the modality gap between symbolic and numerical embeddings, reliably distinguish the effects of local edits that the original alignment cannot, and transfer to external SR corpora.
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All authors Benjamin Léger, Shubham Gupta, Samy Mammeri, Kazem Meidani, Cem Subakan, Christian Gagné

Machine Learning

Model-Agnostic Online Certificate-Driven Calibration for Time Series Forecasting Under Distribution Shift

Time series out-of-distribution generalization requires forecasters to remain reliable when deployment dynamics differ from training conditions due to covariate shift, concept shift, and temporal dependence. Probably Approximately Correct Bayesian domain adaptation provides computable certificates by decomposing target risk into a source risk term, a source-to-target mismatch term, and a complexity term, but standard analyses rely on independent sampling and distributional stability, assumptions that are violated in time series by serial dependence and nonstationary shift. We propose a model-agnostic online martingale Probably Approximately Correct Bayesian framework that yields finite-sample certificates under temporal dependence and distribution shift. The certificate replaces independent-sample concentration with martingale concentration that adapts to loss scale and predictable variation. We use the certificate as a surrogate regularizer for online calibration by training a gated residual Bayesian head on top of a fixed forecasting backbone, producing a corrective update that reverts to the backbone prediction when the gate is closed. Online calibration combines a source risk anchor, a posterior-shift penalty, and a time-adaptive mismatch term computed from target windows observed before forecasting. It follows a predict-then-update protocol in which outcomes become available only after forecasting and are used to update subsequent predictions. Experiments across convolutional, attention-based, and large language model-based forecasters show improved stability and accuracy under covariate and concept shift.
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Machine Learning · Cross-listed from cs.CV

CaptchaArena: A Large-Scale, Fine-Grained Dataset for Training Computer-Use Agents on Interactive CAPTCHAs

Interactive CAPTCHAs remain challenging for computer-use agents, while existing datasets face trade-offs among type coverage, interaction fidelity, and trajectory supervision. To address these gaps, we present CaptchaArena, the first large-scale, fine-grained training dataset for interactive CAPTCHA solving. It contains 50K puzzles across 20 CAPTCHA types and 5 interaction modes, with every solution verified through execution. CaptchaArena provides 50K screenshot-action trajectories, including 46K with step-by-step reasoning annotations. It also includes fine-grained pixel-mask annotations for irregular targets. Using CaptchaArena, we train CaptchaAgent, a single 9B policy for all 20 CAPTCHA types, with supervised fine-tuning followed by reinforcement learning. The environment verifier directly provides the RL reward. Supervised fine-tuning reaches 70.5 Pass@1, and reinforcement learning further improves it to 71.7, while also improving performance on two external benchmarks. These results demonstrate the value of large-scale, fine-grained computer-use supervision for training interactive CAPTCHA agents. We release CaptchaArena and CaptchaAgent at https://github.com/X0X0X00/CaptchaArena.
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All authors Zhenhao Zhang, Zhaoyu Fan, Haohan Ying, Jingwen Hu, Hancen Fan, Junhao Zhou, Zitian Chen, Linchao Zhu

Machine Learning · Cross-listed from cs.CL

Transformer MLP Gate Thresholds Are Couplings to a Carried Reference Direction

The corpus-mean direction of a transformer's residual stream is a component shared across all inputs, and is commonly removed by mean-centering before representational analysis. We present evidence that it is a functional component: the reference against which the MLP gate population sets its operating point. In Phi-2, an exact decomposition of resting gate pre-activations shows that at mid-stack layers the resting inhibition of >99.9% of gates is carried by the coupling $w \cdot b_L$ to the carried mean direction, at 48-56$\times$ the explicit bias parameter, and the coupling is direction-specific: a random direction at matched norm orders the population's firing rates at Spearman $\rho \leq 0.09$ where the reference reaches 0.95. (That 0.95 is near-tautological on its own; the paper derives its null.) Causally, removing the stream's projection on the reference multiplies above-threshold firing by about 9$\times$, dose-monotonically, at 23-59$\times$ a norm-matched control; a random-initialised twin is flat, and replacement tests show that the direction carries the function and the magnitude does not. A direction-matched control makes the same point: noise injected along the reference costs 8-42$\times$ the same energy along a random direction. The decomposition replicates on four further families spanning both gate types (GELU with an explicit gate bias, bias-free SwiGLU), and the dose-response on two of them. Across an eight-model scan the mechanism is present in every GELU and SiLU family and absent only in OPT, where an opposing LayerNorm bias cancels the carried reference. Gate thresholds are implemented as couplings to a constant the network builds for the distribution it is reading, with the bias parameters contributing little; how much of that constant is carried in the stream and how much in parameters depends on the architecture.
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2609.31956 · 25 Sep · 18 pages, 4 tables. Code and data: https://github.com/EvidentSolutions/llm-interp/tree/main/background. An earlier version of this paper is archived on Zenodo, doi:10.5281/zenodo.21498411; this version supersedes it and corrects several reported values

Machine Learning

On-Policy Attention Linearization

Hybrid transformer architectures that replace most softmax attention layers with linear attention offer transformer-level quality at a fraction of the memory cost. Rather than pretraining such models, a growing body of work distills them from already trained full-attention transformers. However, these distilled models often collapse on long-context retrieval and reasoning tasks, particularly when operating in thinking mode, where the efficiency gains of hybrid architectures matter most. Since linear attention layers must compress context into a fixed-size state, their errors compound over long sequences. As off-policy distillation never teaches the student model to recover from this drift, tasks that necessitate longer sequence lengths become especially challenging. We introduce On-Policy Attention Linearization (OPAL) in which the hybrid attention student samples its own long-context trajectories and receives dense supervision from the frozen full-attention teacher. Applying OPAL to Qwen3-4B and MiMo-7B-RL-0530, we recover $87$–$94\%$ of full-attention performance on commonsense reasoning, $100\%$ on needle-in-a-haystack (NIAH) retrieval, and $83$–$93\%$ on mathematical reasoning with only 3B training tokens. We achieve these results without supervised fine-tuning (SFT) or reinforcement learning with verifiable rewards (RLVR). Compared with the strongest prior linearization method, which recovers $68\%$ of its teacher's retrieval performance and $21.6\%$ absolute average mathematical reasoning accuracy, OPAL fully recovers retrieval and achieves $67.6$–$72.2\%$ on math reasoning.
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All authors Arian Raje, Anupam Nayak, Anthony Fei, Akaash Parthasarathy, Mohamed Abdelfattah, Gauri Joshi

Machine Learning

Simple Extensions of Single-Objective Acquisition Functions and Hedge Strategies for Multi-Objective Bayesian Optimization

Multi-objective Bayesian optimization (MOBO) is commonly approached through specialized acquisition functions or scalarization schemes designed to explicitly account for trade-offs among non-preferential objectives. In this work, we show that such complexity might be unnecessary. We propose a framework that extends standard single-objective acquisition functions directly to the multi-objective setting through a hypervolume-based transformation. We further extend hedge strategies for acquisition functions, which are typically used only in single-objective optimization, to the multi-objective regime. Our approach requires minimal modification to existing Bayesian optimization pipelines and avoids the need for bespoke multi-objective formulations. We demonstrate how a broad class of commonly used single-objective acquisition functions and hedge strategies can be adapted in a principled manner to handle multiple objectives, while preserving their intuitive interpretation and computational efficiency. Empirically, we evaluate the proposed methods across a range of synthetic and real-world multi-objective benchmarks. Despite their simplicity, our extensions consistently match or outperform more complex state-of-the-art MOBO methods in terms of optimization performance and sample efficiency. These results suggest that effective multi-objective Bayesian optimization can be achieved by reusing and carefully extending well-established single-objective acquisition strategies, offering a simpler and more flexible alternative to existing approaches.
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Machine Learning

Cache-Aware Conv3D Lowering Across Embedded World-Model Decoders

Generative world models can provide visual rollouts for embodied planning, yet their feasibility on edge devices depends not only on the learned model but also on how the execution runtime represents its operations. We introduce a cache-aware lowering that expresses supported causal Conv3D calls as batched spatial Conv2D operations while preserving pretrained weights, temporal-cache semantics, convolution parameters, bias placement, and output layout. Across the complete Cosmos3-Edge image-to-video pipeline on a 64-GB NVIDIA Jetson AGX Orin, the proposed route accelerates VAE decoding by approximately $7\times$ and reduces complete-generation latency by more than $2\times$, while repeated decoder evaluations maintain complete fast-path coverage without fallbacks. The unchanged lowering also improves Cosmos3-Nano and transfers to LingBot-World's architecturally distinct Wan2.1 VAE. A clean-device comparison against fully specialized TensorRT shows that TensorRT provides a further $1.36\times$ steady-state improvement, but requires substantially greater per-module and per-runtime-state AOT specialization. Same-latent BF16 and FP32 evaluations characterize the finite-precision differences introduced by the alternative execution order. Together, these results position cache-aware lowering as a lightweight runtime optimization that recovers most of the available decoder acceleration without modifying the learned models themselves.
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All authors Jiaming Zhang, Wu Yang, Shuai Tao, Wulong Liu

Machine Learning

Resource-Aware Federated Mixture-of-Experts with Adaptive Pruning for Onboard Learning in LEO Satellite Constellations

Low-Earth-orbit (LEO) satellites are increasingly expected to perform onboard learning for applications such as disaster response and environmental monitoring. However, conventional federated learning (FL) is ill-suited to onboard satellite learning, as it assumes computational, memory, and communication resources beyond the capabilities of resource-constrained LEO platforms, often necessitating the transmission of raw imagery to ground stations. We present COSMIC-FL, a resource-aware FL framework for efficient onboard learning in LEO satellite constellations. COSMIC-FL introduces two complementary Mixture-of-Experts (MoE) architectures: a Sliced design that shares backbone representations while activating task-specific channel subsets, and a Modular design that employs lightweight gating to route inputs to physically separated expert networks. A semantic class-to-expert mapping enables each satellite to train, update, and communicate only the expert paths relevant to its local data. To further improve efficiency, COSMIC-FL integrates staged optimization with three structured pruning strategies: server-side pruning, client-side fixed-ratio pruning with mean-vote aggregation, and adaptive client-side per-layer pruning based on aggregated importance and a MAD-based gap criterion. Combined with semantic expert routing, these techniques jointly adapt computation and model sparsity to both data semantics and layer importance, yielding a favourable accuracy–efficiency trade-off for heterogeneous space platforms. Experiments on six image classification benchmarks under highly non-i.i.d. settings show that COSMIC-FL maintains competitive accuracy while reducing communication, computation, and energy consumption by up to 80% over SOTA FL methods. We further validate COSMIC-FL on an NVIDIA Jetson AGX Orin, confirming its efficiency gains under realistic embedded deployment constraints.
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All authors Mohamed Shaaban, Mohamed Elmahallawy, Marius Bernahrndt, Tobias Hecking

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

Artificial Neural Network Assisted Modelling of Tangent Galvanometer Measurements for the Determination of Horizontal Component of Earth's Magnetic Field

The Tangent Galvanometer (TG) is a standard undergraduate laboratory experiment for estimating the horizontal component of Earth's magnetic field (BH) by measuring the angle of deflection of a magnetic needle corresponding to the current flowing through a circular coil. In this study, an artificial neural network (ANN) is used as a complementary data-driven model to predict the value of BH. A dataset comprising 225 observations obtained using 50-turn and 500-turn coils was used for developing the ANN model. After quality control, 223 observations were retained and divided into training (70%), validation (15%), and testing (15%) subsets. The model was optimized using a feed-forward neural network with Tanh activation. Three different models (Models A, B, and C) with different input variables were compared for optimum performance. Model C used five input variables: current, deflection angle, tan(theta), magnetic field produced by the coil, and number of turns. The addition of tan(theta) produced a substantial improvement in prediction performance, which was further improved by including the magnetic field produced by the coil. Model C gave the best test performance, with R2 = 0.99053, RMSE = 0.54076 microT, and MAE = 0.32940 microT. The experimental and ANN-predicted values of BH were also compared with an adopted local geomagnetic reference value of 39.0 microT. The mean experimental and ANN-predicted values were 37.38898 microT and 37.32161 microT, respectively. The results demonstrate the usefulness of ANN as a complementary tool for analyzing experimental variability and nonlinear relationships in an undergraduate physics laboratory experiment.
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All authors Saralasrita Mohanty, Sudakshina Prusty, Anshuman Pal, Pradipta Kumar Mishra

Machine Learning · Cross-listed from cs.IR

Recipe-Matching, Not Equivalence

MathNet-Retrieve asks a retriever to find, for a math problem, a document stating the same problem. An LLM under one fixed prompt writes each gold document and its near-miss distractors; LLM judges filter them. We call this procedure the "recipe", training on pairs built the same way "recipe-matching", and ask how much score it buys beyond the ability the benchmark claims to test. Two models from one base, matched in rows and settings, differ only in the training file: pairs written under the benchmark's published prompt by another vendor's LLM and judge, or computer-algebra-verified pairs with no LLM anywhere. The first leads by 45 R@1 points on the easy tier. By a non-LLM paraphrase control, half to two thirds of that gap comes from the pairs being LLM-written at all: LLM rewrites under two unrelated prompts, with the verified model's negatives, recover 30 and 22 of the 45 points; back-translations with the same negatives recover almost none. The remaining 15 to 25 points appear only under the benchmark's own prompt and vanish on real duplicates no generator wrote, the same problem in two languages. The hard tier rewards the recipe's pair structure, a deep rewrite against a minimal-edit near-miss: LLM rewrites alone score zero on it, attaching negatives unlocks it, and every negative that does so costs cross-language points; the sets scoring highest on it separate near-misses no LLM wrote worse than LLM rewrites with verified negatives. MELD also moves when a model trains on pairs built its way, without losing retention; on SABER-Math the registered attack fails, and the one gain, from its LLM-written summaries, is small but holds at a matched budget. Only on MathNet-Retrieve could we pin an inversion, benchmark score up and real retention down, to one edit of a training file. We release the generator-free duplicate evaluations, the near-miss test and three trained models.
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All authors Ali Habibullah, Mohammad Alshiekh, Yazan Alshoibi, Salman Khan, Naeemullah Khan

Machine Learning

ROTE: Benchmarking Neural Memorization on Complexity-Controlled Symbolic Sequences

We introduce ROTE (RollOut Testing of Exact memorization), a benchmarking protocol for evaluating symbolic memorization of neural architectures. We study memorization and the extension of symbolic rules in neural sequence models by using sequences whose complexity is regulated by Lempel–Ziv–Welch (LZW) compression. Under ROTE, each architecture is trained as the same finite-context conditional predictor and is evaluated using teacher-forced one-step prediction as well as closed-loop rollout on the withheld symbols. Following a shared prediction-and-rollout evaluation routine, the benchmark evaluates gated recurrent, minimal recurrent, attention-based, and hybrid recurrent-attention models with their native computational characteristics preserved. Beyond standard predictive metrics, the benchmark reports normalized string distances, training time, memory usage, and parameter count across an LZW-complexity sweep. The study establishes a connection between the complexity of algorithmic sequences and the memorization capacity of neural architectures, revealing the trade-offs involving memorization quality, rollout stability, and computational expense. Our software and reproducible experimental code can be obtained from https://github.com/nla-group/rote.
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Machine Learning · Cross-listed from cs.RO

GT-VLA: Target-Conditioned Trace Guidance for Generalizable Robotic Manipulation

Vision-Language-Action (VLA) models have shown strong performance on robotic manipulation, but they often struggle to generalize to unseen tasks, configurations, and long-horizon settings. A key challenge is that VLAs overfit to training scenes and fail to follow novel language instructions. Off-the-shelf vision-language models (VLMs) often provide stronger generalization, but cannot directly control robot actions. To combine the common sense of VLMs with VLA control, we propose Guided Trace VLA (GT-VLA), a steerable framework that accepts guidance from an external generalist VLM through trace-conditioned action generation. GT-VLA uses a generalist model to identify semantic guidance for the current skill, converts this guidance into a 2D visual trace, and conditions its action policy on the resulting trace-rendered observation. This design separates semantic target acquisition, trace generation, and low-level action execution, allowing high-level guidance to propagate to robot actions. GT-VLA uses a Mixture-of-Experts architecture with skill-specific trace and action modules for robust execution. We evaluate GT-VLA on LIBERO and a physical robot platform, showing improved generalization over recent VLA baselines in both settings. The code and additional supplemental materials are available on our project website at https://ivaniz.github.io/gt-vla/.
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Machine Learning

Understanding the Synergy between SFT, RLVR, and OPD in LLM Post-Training

Modern LLM post-training composes supervised fine-tuning (SFT), reinforcement learning with verifiable rewards (RLVR), and on-policy distillation (OPD) into multi-stage pipelines, yet these stages are typically designed and evaluated in isolation. We show that this composition is consequential: a stage that improves the current model can make the next stage less effective. Through controlled experiments with Qwen3 models on math and science reasoning, we first characterize OPD across nine student-teacher pairs spanning 2x to 53x parameter ratios and show that OPD effectiveness depends on student-teacher compatibility rather than teacher scale alone. The surrounding stages of OPD reshape this compatibility in three ways: (1) A brief SFT warm-up improves subsequent OPD, while an RLVR-strengthened student regresses under distillation from the same teacher. (2) Adapting the teacher with RLVR raises downstream OPD accuracy in proportion to the capability it adds. Following these two interventions, we find that combining teacher adaptation and student warm-up alone raise average OPD accuracy from 29.2% to 43.8% (50% relative improvement) after the same number of distillation steps, with additional preparatory training. (3) At comparable accuracy, OPD leaves a stronger initialization for downstream RLVR than SFT, with a gap that widens as RL compute scales. Our results suggest that each post-training stage should be chosen not only for the capability it adds, but for the learning interface it creates for the next stage.
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All authors Emre Can Acikgoz, Yang Li, Zeyu Leo Liu, Srijan Bansal, Dilek Hakkani-Tür, Shafiq Joty, Semih Yavuz

Machine Learning · Cross-listed from eess.AS

MAESTRO: a Multimodal Auditory-attention Egocentric Speech-TRacking Open corpus

Humans rely on gaze, head movements, and visual cues to attend to speakers in noisy environments, yet auditory attention decoding (AAD) has been studied primarily using electroencephalography (EEG). We introduce the Multimodal Auditory-attention Egocentric Speech-TRacking Open (MAESTRO) corpus, the first AAD dataset to simultaneously record EEG, eye gaze, pupillometry, egocentric video, and head inertial measurement unit (IMU) data. MAESTRO includes four competing speakers and background noise across multiple signal-to-noise ratio (SNR) conditions, enabling attention decoding under realistic listening scenarios. Through a four-speaker attention decoding benchmark, we show that combining behavioral and physiological signals improves decoding performance over EEG-only approaches, enabling future advances in multimodal auditory attention decoding. These findings open the door to new applications, analyses, and methodological advances in multimodal AAD. The complete dataset is publicly available at https://huggingface.co/datasets/aspire-osu/maestro-eeg-dataset . The official code repository is available at https://github.com/ASPIRE-OSU/MAESTRO .
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Machine Learning

CyberWorld: World Models for Sample-Efficient Autonomous Cyber Defense

Deep reinforcement learning has become a prominent approach to autonomous cyber defense. Existing methods are predominantly model-free and consequently require extensive environment interaction. World models provide an alternative by learning predictive dynamics and optimizing policies through imagined trajectories, yielding substantial gains in sample efficiency in robotics and embodied control. Extending this paradigm to cybersecurity raises a fundamental question: what should constitute the "world" in a cyber world model? We introduce CyberWorld, a Dreamer-style world modeling framework that learns latent cyber dynamics from vector, graph, textual, and multimodal representations of the defended network. Across all four scoreable CyberWheel attack strategies, the graph-based CyberWorld variant exceeds a strategy-agnostic control after 3.6k-15.8k environment steps, compared with millions of steps required by model-free PPO. Across representation choices, graph structure provides greater robustness under topology-dependent attacks, while simpler representations remain competitive in overall performance. Among successful runs, the number of episodes required to reach the control remains approximately constant as network size increases from 15 to 100 hosts. These results establish learned cyber dynamics as a sample-efficient and scalable basis for autonomous defense, and identify world representation as a central design axis for robustness and scalability.
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All authors Ryozo Masukawa, Sanggeon Yun, Raheeb Hassan, Hyunwoo Oh, SungHeon Jeong, Mohsen Imani

Machine Learning

FARE: Deep Reinforcement Learning For Fair Exposure Constrained Uncertainty Aware Financial Content Personalization

Content personalization systems in financial services must ensure fair exposure across diverse offerings-a requirement driven by contractual obligations and the need to prevent "rich-get-richer" dynamics where content with high click-through rate (CTR) dominates while other relevant products receive minimal visibility. Share of Voice (SOV) constraints, which guarantee each content category a target fraction of top-position exposure, address this by promoting product diversity and balanced user discovery. While re-ranking layers atop CTR models are common in practice, we propose two key novelties: (1) framing SOV-constrained ranking as a deep reinforcement learning problem analogous to constrained trade execution in algorithmic finance, and (2) explicitly incorporating CTR prediction uncertainty into the agent's state space and policy design-enabling larger ranking adjustments for high-uncertainty predictions where deviation from CTR-optimal ordering is less costly. We introduce FARE (Fair Ranking Executor), a modular uncertainty-aware execution layer that translates any black-box CTR model's predictions into SOV-fair rankings without retraining the underlying model. Our uncertainty-weighted proportional control policy (FARE-PC) and learned neural policies (FARE-ES, FARE-PPO) demonstrate that uncertainty-aware approaches can substantially reduce SOV deviation from fairness targets while minimizing engagement loss, with gradient-free evolution strategies outperforming policy gradient methods on synthetic data and the ordering reversing on KuaiRand-Pure.
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Machine Learning · Cross-listed from cond-mat.mtrl-sci

Knowledge-Driven XRD Phase Identification via Multi-View Retrieval and Explanation

X-ray diffraction (XRD) is a experimental technique for determining the phase composition and structure of crystalline materials. However, interpreting XRD patterns is challenging, particularly in high-throughput materials discovery, where many novel materials may need to be characterized and no reference patterns are available. Consequently, machine learning is increasingly used to accelerate and automate the analysis while reducing errors associated with human interpretation. We propose a multi-decision framework for XRD phase analysis that integrates representation learning, similarity-based retrieval, and explainable decision support within a unified reference database. A convolutional autoencoder learns compact latent representations of XRD patterns that preserve structural similarity while remaining robust to variations arising from experimental noise and measurement conditions. By integrating multiple decision pathways within a shared latent space, the framework moves beyond single-label prediction toward ranked and interpretable phase analysis that mirrors expert practice. During inference, complementary decision mechanisms are applied, including latent-space classification and retrieval, explanation-guided similarity using Integrated Gradients, and composition-based similarity search. These mechanisms generate ranked candidate phase lists that are aggregated into a final prediction with an associated confidence score. Experiments on synthetic datasets demonstrate strong predictive performance, achieving 98.85\,% accuracy for crystal system classification and 95.82\,% accuracy for space group prediction on the test set, while maintaining robustness under realistic perturbations. The framework supports reliable, analyst-friendly identification of crystal phases and structures in high-throughput and exploratory materials discovery settings.
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Machine Learning

DOHF: Online Diffusion Fine-tuning with Doob's $h$-transform Guidance

Reward-based diffusion fine-tuning faces practical challenges when desirable outcomes are rare or conditioning corrections are costly to estimate. In this work, we propose Diffusion Online $h$-guidance Fine-tuning (DOHF), which turns Doob's $h$-transform into a practical online training algorithm. DOHF assigns optimality weights to generated samples, estimates the normalized local correction $\nabla\log h$ under the current rollout policy, and distills it directly into the generative model. Theoretically, we characterize the population-optimal DiffusionNFT update as well as the various classfier free guidance methods through a unified $h$-transform perspective. Methodologically, our framework accommodates black-box and non-differentiable rewards without additional network evaluations. We further show improved alignments under three empirical scenarios. Our work demonstrates how adapting probabilistic conditioning through inexpensive estimation and iterative distillation can improve generative learning across statistical sampling and visual generation.
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All authors Zhengyi Guo, Jiayuan Sheng, Wenpin Tang, David D. Yao

Machine Learning

TemporalGraphLLM: Temporal Graph Neural Networks with Large Language Models for Dynamic Text-Attributed Graphs

Dynamic text-attributed graphs (DTAGs), where nodes, edges, and textual attributes evolve over time, are crucial in applications such as social networks, citation graphs, and knowledge graphs. However, existing approaches struggle to jointly model the temporal evolution of graph structures and the semantic richness of textual attributes. While Temporal Graph Neural Networks (TGNNs) capture evolving node relationships, they often lack contextual text reasoning. Conversely, Large Language Models (LLMs) excel in textual understanding but struggle with structured graph reasoning in temporal settings. To bridge this gap, we propose TemporalGraphLLM, a novel framework that can integrate any temporal GNN with an LLM for enhanced reasoning in DTAGs. Our approach fine-tunes LLMs using graph-time-aware instruction tuning and novel temporal GNNs injection to replace dedicated added tokens with graph embeddings. TemporalGraphLLM effectively leverages pretrained TGNNs within an LLM framework to achieve state-of-the-art performance on edge classification, link prediction, and edge-based text generation tasks. Extensive evaluation on real-world dynamic graph datasets demonstrates state-of-the-art performance. Our findings highlight the synergistic potential of LLMs and TGNNs, opening new directions for learning on evolving graphs.
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All authors Moran Beladev, Or Eitan, Gilad Katz, Lior Rokach

Machine Learning · Cross-listed from cs.CR

A Large-Scale Benchmark and Risk Assessment of Traffic Analysis Attacks on Cloud LLM Services

Cloud-based Large language model (LLM) services create a network-level traffic side channel that can expose model, prompt, and task behavior despite encryption. From packet sizes, directions, timing, and burst structure alone, a passive local observer can infer the serving model, the user's prompt category, and the task executed by a collaborative multi-agent system. Yet current evidence is fragmented across separate datasets and settings, limiting reproducibility and comparison. We present, to our knowledge, the first unified measurement study and public benchmark of encrypted LLM traffic across both user–LLM and multi-agent executions. The large-scale benchmark contains 60,000 user–LLM interactions across 10 models and 6 prompt categories, plus 2,838 multi-agent executions covering 10 task categories and two coordination topologies. Using only encrypted packet metadata, we assess the risk of traffic analysis attack by characterizing traffic signatures, identifying the features most associated with leakage, and testing robustness under prompt reformulation, decoding-temperature changes, larger candidate model sets, and partial traffic observation. Model fingerprinting achieves 97.7% balanced accuracy, prompt-category fingerprinting reaches 76.7% mean accuracy, and multi-agent task fingerprinting achieves up to 90.7% accuracy. Prompt reformulation weakens but does not remove model-specific leakage, and task fingerprints remain detectable even from a single agent's traffic.
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All authors Shahrooz Pouryousef, Jesus Lopez, Saeefa Rubaiyat Nowmi, Md Mahmuduzzaman Kamol, Moinul Hossain, Muoi Tran, Mohammad Saidur Rahman