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Tuesday 1 September

Machine Learning · Cross-listed from cs.RO

Accelerating Reinforcement Learning via MPC Solver-Gradient Guidance for Weights-varying MPC

In Model Predictive Control (MPC), cost-function weights shape closed-loop behavior, yet changing conditions often make fixed parametrizations suboptimal and motivate context-dependent online adaptation. Learning such policies is difficult because behavior depends implicitly on numerical MPC solutions, producing nonlinear, potentially nonsmooth, long-horizon dependencies on policy parameters. This creates a bias-variance tradeoff: Reinforcement Learning (RL) optimizes realized closed-loop return from environment samples but is sample-inefficient, whereas Gradient-Based Policy Learning (GB-PL) uses low-variance solver gradients from differentiable MPC to optimize surrogate losses on predicted trajectories but can be biased under model mismatch. We propose Solver-Gradient Guided Reinforcement Learning (SG-RL), a solver-sensitivity augmentation for RL-based online MPC cost-weight adaptation. SG-RL keeps sampled closed-loop return as the objective and uses bounded solver-derived gradients as auxiliary guidance to improve stability and sample efficiency. We instantiate SG-RL in Proximal Policy Optimization (PPO) with four modular algorithms that inject solver-gradient guidance into actor-update scaling, policy loss, advantage estimation, and value-function learning. On two full-scale autonomous racing platforms with intentional model mismatch, SG-RL reaches PPO's best closed-loop return with up to 70.6% fewer samples, outperforms GB-PL baselines by at least 54% in closed-loop return, and generalizes zero-shot to unseen environments.
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All authors Baha Zarrouki, Arslan Thobani, Jasper Hoffmann, Mattia Piccinini, Rudolf Reiter, Felix Jahncke, Sébastien Gros, Davide Scaramuzza, Johannes Betz

Machine Learning

SAGE: Subpopulation-Aware Generative Enhancement for Mitigating Spurious Correlations

Spurious correlations pose a significant challenge to the robustness of modern machine learning. The inherent imbalance in dataset distributions often leads traditional Empirical Risk Minimization (ERM) models to rely on majority spurious attributes for classification, resulting in poor performance on minority groups. This problem becomes particularly challenging when the spurious attributes are unavailable. Existing group-label-free methods often upsample minority groups or misclassified real training examples; repeating the same instances can reduce effective diversity and encourage overfitting. To mitigate these spurious correlations from a data-centric perspective in the absence of prior knowledge, we introduce Subpopulation-Aware Generative Enhancement (SAGE), a two-stage generative augmentation framework. Using cluster-derived sub-labels and class labels, we fine-tune a conditional generative model and text encoder, generating targeted synthetic data to fill underrepresented regions in the training set and construct a balanced validation set for last-layer reweighting. We experimentally show that SAGE achieves 89.5%, 85.7%, and 79.1% worst-group accuracy on Waterbirds, CelebA, and MetaShift, respectively, outperforming the best group-label-free baselines by up to 7.7 percentage points.
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Machine Learning

From Truncation to Commitment: Persistent Context in Uniform Discrete Diffusion

Uniform-state discrete diffusion models update all tokens in parallel while keeping every position revisable. Even when the commonly used top-$p$ rule leaves only one candidate at a position, that choice affects only the current reverse step and can be revised at the next sampling step. We ask what changes when selected hypotheses instead become persistent context for later predictions. We therefore propose committed reveal sampling (CRS), a training-free sampler that stores selected argmax tokens and inserts them into subsequent model inputs. Our analysis gives a rationale for selecting later and for keeping selected tokens visible. Under the exact forward process, the Bayes error of selecting a clean token cannot increase as noise decreases, while in a simple latent-mode model, keeping the selected token visible helps later parallel predictions agree on the same sequence-level choice. Empirically, paired experiments on Duo-distilled then separate this persistent effect from single-step top-$p$ restriction and scalar temperature scaling. Under the same finalization rule, CRS without top-$p$ truncation reaches lower generative perplexity (GenPPL) than fixed $p=0.95$ and $p=0.9$ baselines across budgets of 8–64 function evaluations (NFE). At 64 NFE, the comparison at matched unigram entropy also gives lower GenPPL for CRS, yielding a more favorable GenPPL–entropy tradeoff. Base Duo shows the same direction in a descriptive comparison, while other diversity and continuation metrics can rank these operating points differently. These results identify support restriction and persistent context as distinct controls of that tradeoff.
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Machine Learning · Cross-listed from cs.CV

ViTAMINS: An Empirical Study of Training Self-Supervised Vision Transformers with Synthetic Hard Negatives

We introduce ViTAMINS, a method that integrates synthetic hard negatives into unsupervised vision transformer pretraining to improve representation quality. Our approach is thoroughly benchmarked on ImageNet and transfer learning, image retrieval, copy detection, and image, video segmentation tasks. Notably, our proposed negatives give rise to emergent properties, where learned representations contain explicit information about the semantic content of an image and serve as excellent classifiers (up to +11.3% over baselines). ViTAMINS achieves these benefits through simple modifications to existing contrastive frameworks and outperforms competing methods while being more resource efficient, e.g., our ViT-B surpasses V-JEPA with ViT-L. Our findings motivate reconsidering contrastive learning as a simpler yet powerful alternative to dominant generative and self-distillation approaches.
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All authors Nikos Giakoumoglou, Andreas Floros, Kleanthis-Marios Papadopoulos, Tania Stathaki

Machine Learning · Cross-listed from cs.AI

Spawn Freely, Act Sparingly: Progressive Risk Vesting for Recursive LLM-Agent Trees

Recursive LLM agents can broaden their search by spawning specialists. Some branches later request tools that send data or deploy code. When should a branch receive authority to act? We distinguish sandbox spawning, in which external controls prevent the specified harm, from capability activation, in which a selected branch crosses an irreversible-action boundary. Progressive Risk Vesting (PRV) holds a trajectory-level risk budget in escrow and debits it as branches are activated. We prove an anytime harm bound for adaptively generated trees. Branch outcomes may be dependent, but each local certificate needs to remain valid conditional on the full pre-activation history, including the information used to select the request. When activation gates, branch charges, and compute constraints are held fixed, delayed vesting preserves every policy available under irrevocable spawn charging. Marginal risk estimates can still fail after branch selection. In a stylized branching model, trajectory harm changes as the authority reproduction number $\mathcal{R}_A$ crosses one. As local risk $p$ approaches zero, trajectory harm is proportional to $p$ below criticality, proportional to $\sqrt{p}$ at criticality, and retains a positive floor above it. A finite-type occupancy model yields risk and compute shadow prices. For nested fanout modes with decreasing marginal value per unit risk, these prices produce a threshold rule. Branching calculations and a split-sample experiment illustrate the results. These synthetic studies do not estimate safety in deployed agents. The analysis suggests a design rule: search broadly in the sandbox and grant recursive authority sparingly, with an explicit risk charge.
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Machine Learning

The Multiple Timescales of Gradient Descent on the Edge of Stability: A Perturbative Derivation of the Central Flow

The central flow of Cohen et al. (2025) is an empirically accurate continuous-time model of gradient descent at the edge of stability in deep learning, However, its derivation is heuristic. We propose a perturbative regime in which the central flow is the limit of gradient descent: we assume that the loss decomposes as $f = g + \varepsilon h$; in the limit $\varepsilon \to 0$, the dynamics of gradient descent with learning rate $\eta$ converge to the gradient flow of $h$ constrained to the minimizers of $g$ of sharpness at most $2/\eta$. Our approach is formal rather than rigorous; it treats gradient descent as a singularly perturbed dynamical system in $\varepsilon$. Three timescales emerge: a fast timescale of oscillations along the sharpest direction, an intermediate timescale of the self-stabilization mechanism, and a slow timescale of the dynamics along the minimizers of $g$-the central flow. Using the method of multiple scales, a classical formal method from singular perturbation theory, we derive the expansion of the dynamics in $\varepsilon$: the central flow emerges as the leading-order term in the expansion, while the self-stabilization mechanism appears in the next-order term. We study this mechanism beyond previous analyses: with a single eigenvalue at the edge of stability, we compute the slow drift of the energy of the fluctuations; with several eigenvalues at the edge of stability, we derive the self-stabilization system and explain why fluctuations persist.
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Machine Learning · Cross-listed from cs.IR

Web Price Extraction: State of the Art and an Adaptive Browserless Implementation

Price extraction from websites is a key task for market monitoring, price comparison, and business analytics in e-commerce. Existing approaches can be broadly divided into four groups, and understanding their trade-offs in accuracy and scalability is essential for selecting suitable extraction strategies. Classical methods rely on manually written wrappers and rule induction from labeled pages, offering high accuracy but adapting poorly to structural changes and requiring considerable maintenance effort. Browser-based methods, using tools such as Selenium and Puppeteer, handle dynamic JavaScript content but consume large computational resources and scale poorly. Browserless approaches retrieve HTML directly via HTTP requests, offering significant gains in speed and cost, but rely on rules calibrated for specific sites. Methods based on machine learning and large language models offer adaptability but require training data and substantial computation. Our main contribution is an adaptive browserless price extraction system that improves robustness to structural differences between websites. We implemented a baseline architecture combining HTML page fragmentation with syntactic, semantic, and frequency rules, and extended it in two ways: a Bayesian approach that dynamically updates rule weights, and a genetic algorithm that optimizes the system's global parameters. This hybrid scheme increased precision from 77.2% to 87.3% and reduced average per-page processing time by approximately 14% relative to the baseline, confirming it as a competitive alternative to manually tuned browserless solutions and to more resource-intensive browser- or LLM-based methods, offering high extraction accuracy at low computational cost.
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Machine Learning · Cross-listed from cs.CV

SinkPruner: Sink-Free Visual Token Pruning for Multimodal Large Language Models

Despite their strong multimodal understanding ability, multimodal large language models (MLLMs) incur substantial computational overhead when processing long visual token sequences. To reduce inference costs, recent studies have explored visual token pruning through vision-centric or text-guided strategies. However, these methods often overlook high-norm outlier tokens, i.e., tokens with abnormally large feature norms, leading to suboptimal pruning decisions. In this work, we show that such high-norm outlier tokens are highly redundant in both feature and spatial dimensions, yet are often mistakenly preserved as informative cues by existing methods. Motivated by this observation, we propose SinkPruner, a training-free visual token pruning framework for efficient MLLM inference. SinkPruner follows a coarse-to-fine design with two key modules: a visual sanitizer that filters high-norm redundancies and alleviates attention sink and attention dispersion, and a text-guided pruner that further retains tokens semantically aligned with the text query. Extensive experiments on twelve image-language and four video-language benchmarks demonstrate the effectiveness, efficiency, and generalizability of our framework. Notably, SinkPruner preserves 96.5% (91.8%) of the original performance of LLaVA-1.5 (Qwen2.5-VL) under an 89% token reduction. Experiments further indicate that our visual sanitizer exhibits promising transferability in enhancing the performance of existing pruning methods. Our code is available at https://github.com/LaVi-Lab/SinkPruner.
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All authors Shiyu Li, Zi-Yuan Hu, Shijia Huang, Yanyang Li, Yiwu Zhong, Liwei Wang

Machine Learning · Cross-listed from cs.CL

Right Frame, Wrong Rule: Cultural Cues Expose the Financial Knowledge Gap They Were Meant to Close

When a question has valid answers under different normative frameworks, a language model must decide which framework to use and whether it can answer correctly within it. We call this setting normative pluralism and study it in Islamic finance using a four-choice taxonomy that separates framework selection from within-framework correctness. This separation reveals the stereotype trap: a cultural cue steers a model toward one framework, but the model selects an incorrect answer within that framework. Across twelve models, two languages, and fifty demographic signals, cultural cues change framework selection and reveal substantial differences in accuracy, especially among non-frontier models. Under the strongest signal, large open-weight models select the Islamic framework 97% of the time. A two-choice evaluation would report near-perfect alignment, although 57–66% of those selections are incorrect. These findings motivate, but do not directly test, the competence-conditioned routing hypothesis: models may favor frameworks where they are more accurate, while cultural cues may expose framework-specific competence gaps.
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All authors Rania Elbadry, Ahmed Heakl, Saeed Almheiri, Fan Zhang, Muhra AlMahri, Xueqing Peng, Mohsinul Kabir, Shuyao Wang, Yi Han, Saadeldine Eletter, Duzhen Zhang, Preslav Nakov, Yuxia Wang, Fajri Koto, Zhuohan Xie

Machine Learning · Cross-listed from stat.ML

Embedded Conditional Independence Tests for Large Language Model Generated Text with an Application to German Parliament Speeches

Conditional independence tests (CITs) test for conditional dependence between two random objects $X$ and $Y$ given a third random object $Z$. Existing CITs have limited applicability to high-dimensional data, especially multimodal data like text. However, we show that such tests are of interest for large language model (LLM) outputs, where we test whether an output $X$ generated from a source text $Z$ carries information about an attribute $Y$ beyond $Z$ itself. For this purpose, we propose embedded CITs (eCITs), which embed $X$ and $Z$ and apply an existing CIT to the resulting representations and to $Y$. We show that, provided the embedding of $Z$ is sufficient, i.e. retains the information $Z$ carries about either $Y$ or the representation of $X$, the null hypothesis transfers from $X$ and $Z$ to their representations, so that a CIT valid for the embedded hypothesis is valid for the original one. We further give conditions for equivalence of the two hypotheses, and show that sufficiency weakens to mean sufficiency when the embedded test targets conditional mean independence. We propose a semi-synthetic simulation design to assess type I error (T1E) control and power of the eCITs for given embedding maps on a specific dataset and task, and use it to evaluate them on our application. Applying the eCITs to German Parliament speeches, we find for all combinations of embedding maps considered that the summaries of two LLMs contain information about the speaker's faction and gender beyond the speech they were generated from.
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All authors Marco Simnacher, Georg Keilbar, Benjamin König, Christoph Lippert, Sonja Greven

Machine Learning · Cross-listed from cs.CL

DualStake: Dual-Path Confidence Calibration in Deep Research Agents

Deep Research agents tackle knowledge-intensive tasks through multi-round retrieval and decision-oriented generation. However, these agents suffer from severe overconfidence, making their expressed confidence unreliable for user trust and downstream abstention. To address this, we augment the Deep Research pipeline with step confidence elicitation after each retrieval, building on the commonly used post-answer verbalized confidence. Interestingly, we find that Evidence Confidence (E-Conf), elicited after the final retrieval step, provides a stronger uncertainty signal than Answer Confidence (A-Conf), elicited after answer generation, and that A-Conf is largely shaped by E-Conf. Based on these findings, we propose DualStake, a dual-path calibration method that applies margin-clipped, confidence-dependent stake rewards to jointly align E-Conf and A-Conf with answer correctness while limiting extreme confidence optimization. Experiments on Qwen2.5-7B, Qwen2.5-7B-Instruct, and Qwen3-4B across 8 QA benchmarks demonstrate that DualStake consistently improves calibration without sacrificing answer accuracy. The code is available at https://github.com/FloXXXt/DualStake.
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All authors Yinuo Xu, Yuwei Liang, Jianjie Cheng, Meng Wang, Yongcan Yu, Shuo Lu, Jian Liang

Machine Learning · Cross-listed from cs.CL

Context-Grounding Gains Are Mediated by Pre-existing Machinery: Auditing GRPO, SFT, and DPO

Language models can ignore prompt evidence when it conflicts with memorized knowledge. Post-training can make models follow such evidence more reliably, but it is unclear whether these gains require new machinery or strengthen machinery already present. We compare nine post-training arms spanning GRPO, SFT, and DPO from one starting checkpoint, with key comparisons extended across scales and families. We estimate a grounding direction from that checkpoint before training. Across five tested GRPO variants, grounding gains are small. For the two variants replicated across seeds, equivalence tests bound their effects below the conflict-SFT gain even as the rewarded metric improves. Conflict-SFT improves grounding moderately, while DPO drives grounding near ceiling on its matched distribution. Conflict-SFT and DPO largely use the same causal attention-head set as the starting model. Subtracting the starting-model direction suppresses both gains, while adding it to the starting model recovers 35% of DPO's gain at a dose passing all stated side-effect checks. After a supervised warm start makes the context answer appear in more rollouts, the same GRPO recipe adds essentially no further grounding gain. In our setting, grounding gains largely depend on machinery already present in the starting model.
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Machine Learning

When Metropolis and Hastings Meet Bradley and Terry: Exact MCMC From Preference Voting

Sampling from distributions conditioned on desired semantic properties is an emerging challenge in modern generative modeling. Metropolis-Hastings (MH) provides a principled route to conditional sampling, but requires access to exact pointwise target-density evaluations, which are not available in generative settings. Meanwhile, pairwise comparisons by humans or model "judge" are highly accessible and have proved valuable across diverse applications. We introduce Pref-MH, a general exact MH sampler for judge-induced conditional distributions using only stochastic binary pairwise comparisons. Our key observation is that the MH unnormalized density ratio matches the preference odds of the Bradley-Terry (BT) choice model. The central challenge is that while MH requires precise ratio computation, BT judges provide only sampled binary feedback. To this end, we develop a valid accept/reject rule whose resulting Markov chain provably converges to the target distribution. We further show that, for a fixed proposal kernel and budget, Pref-MH is optimal in the Peskun-Tierney sense among this class of exact reversible acceptance rules. Experiments on text generation and molecular design with LLM judges, as well as image generation with VLM judges, demonstrate that Pref-MH provides a practical and flexible approach to conditional sampling when comparative feedback is relatively easy to obtain.
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Machine Learning · Cross-listed from physics.optics

Direct Optimization of a 3D Finite-Source Reflector via Neural-Network Parameterization

We present a direct optimization method for three-dimensional freeform reflectors that transform the light of a finite-étendue source into a prescribed far-field angular intensity distribution. The reflector profile is represented by a small neural network (a multilayer perceptron), which is trained end-to-end through a differentiable ray-tracing objective. We furthermore parameterize the emission directions in gnomonic coordinates, and show how we use this to ensure that every emitted ray intersects the reflector. At each iteration, the network is converted to a bicubic spline representation for ray-tracing efficiency, and intersections with this smooth surface are solved by a damped Newton solve, with gradients computed via the implicit function theorem. The traced output distribution is compared with the desired target on a 'soft' histogram, under an $H^{-1}$-type spectral weighting that emphasizes long-range transport of flux to improve convergence. Optimization is performed using a BFGS method with self-scaled Broyden updates and a plateau-perturbation rule to prevent stalling. The method converges reliably within seconds on a single GPU for all examples tested.
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All authors Roel Hacking, Lisa Kusch, Martijn Anthonissen, Wilbert IJzerman

Machine Learning · Cross-listed from cs.CV

Vision-Language-Guided Pseudo-Labels for Unsupervised Domain Adaptation in Semantic Segmentation for Waste Sorting

Obtaining labeled data for semantic segmentation in applied settings (e.g., autonomous driving, industrial waste sorting) is expensive and often infeasible at scale. We present a cross-modal pseudo-labeling pipeline that enables unsupervised domain adaptation without any target-domain annotations. The pipeline is built on two core foundation models: SAM generates class-agnostic region proposals, and EVA-CLIP assigns semantic labels based on region-text similarity, with confidence filtering ensuring that only reliable pseudo-labels are used for self-training a segmentation model. As an optional extension, BLIP provides language-grounded verification for ambiguous regions, thereby improving pseudo-label quality without altering the overall pipeline. Evaluated on two domain shifts, synthetic-to-real autonomous driving and, with a primary focus, lab-to-factory industrial waste sorting, the pipeline consistently improves over source-only baselines. Our results demonstrate that pseudo-label quality, not quantity, is a decisive factor in self-training under domain shift, and that cross-modal language grounding offers a practical path to reliable automatic annotation in deployment-critical applications.
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All authors Udo Schlegel, Shubhangi, Gabriel Dax, Sai Rahul Kaminwar, Florian Karl, Thomas Seidl

Machine Learning

Poisson-Gamma Dynamical Systems with Time-varying Transition Dynamics

Bayesian methodologies for handling count-valued time series have gained prominence due to their ability to infer interpretable latent structures and to estimate uncertainties. Among these Bayesian models, Poisson-Gamma Dynamical Systems (PGDSs) are proven to be effective in capturing the evolving dynamics underlying observed count sequences. However, the state-of-the-art PGDS still falls short in capturing the transition dynamics that are commonly observed in real-world count time series. To mitigate this limitation, a PGDS with time-varying transition kernel (TV-PGDS), is proposed to allow the underlying transition matrices to evolve over time. Three specifically-designed Dirichlet Markov chains (Dir-Dir, Dir-Gam-Dir, PR-Gam-Dir) are constructed to accommodate heterogeneous structural mutations within these dependencies. Leveraging Dirichlet-Multinomial-Beta data augmentation techniques, a fully-conjugate and efficient Gibbs sampler is developed to perform posterior simulation. Experiments show that, in comparison with related models, the proposed PGDS achieves improved predictive performance due to its capacity to learn time-varying dependency structure captured by the time-evolving transition matrices.
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All authors Jiahao Wang, Yijun Wang, Nan Fang, Sikun Yang

Machine Learning · Cross-listed from cs.AI

Denoising Diffusion Generative Models Secretly Calculate Attentions

Denoising diffusion models are the dominant architecture for image generation, whereas most natural language generation and modeling are primarily handled by well-known transformer architectures employing attention mechanism. Here, we show that diffusion models also inherently use an attention mechanism very similar to that of transformers. Therefore, attention emerges as a universal machine learning principle, based on a general training objective. We also show similarities in basic functional principle of auto-encoders and attention-based models. These equivalences allows us to interchange these designs based on practical requirements. As an example, we can reformulate the diffusion framework to reduce the lengthy training process and computation-intensive image generation. Using this approach, a simplified algorithm is proposed for image generation which is based on attention mechanism. Results show that the attention-based implementation achieves comparable performance with significantly less effort and computational resources.
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All authors Farzan Haddadi, Leila Monfared, Ebrahim Rezaii, Mohammadreza Malek-Mohammadi, Pejman Zakalvand, Narges Mokhtari

Machine Learning

iPINN for Broadband CARS Phase Retrieval: A Framework for Function Approximation and Inverse Modeling Problems in Nonlinear Spectroscopy

Phase retrieval in broadband coherent anti-Stokes Raman spectroscopy (BCARS) is an ill-posed inverse problem. The Raman-like signal is encoded in the imaginary part of the resonant susceptibility, which mixes coherently with a non-resonant background (NRB) that varies across acquisitions. We introduce an inverse physics-informed neural network (iPINN) that predicts Lorentzian peak parameters from raw BCARS spectra and reconstructs the resonant susceptibility through a differentiable analytical forward model. A transformer encoder assigns spectral features to 24 learnable peak slots, and a multi-view consistency loss enforces invariance across NRB pattern, NRB strength, and noise. Unlike direct spectral regression approaches, the method retains accuracy under varying acquisition conditions. On a public benchmark, iPINN achieves the lowest error among the tested baselines (MAE 0.016 vs. next-best 0.046). On 28 zero-shot test spectra acquired across seven solvents and four focal positions, accuracy is depth-invariant in five of seven solvents. These results show that inverse parametric prediction with a differentiable physical decoder supports robust phase retrieval across measurement conditions.
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All authors Ravi Teja Vulchi, Carl Messerschmidt, Mohammadsadegh Vafaeinezhad, Rajendhar Junjuri, Tobias Meyer-Zedler, Juergen Popp, Thomas Bocklitz

Machine Learning · Cross-listed from cs.AI

FractalNet-Based Heterogeneous Federated Learning for Orbital Edge Intelligence in Satellite Mega-Constellations: A Wildfire Case Study

Satellite mega-constellations are emerging as large-scale sensing, communication, and computation fabrics, yet their learning architectures remain largely inherited from terrestrial federated learning and ground-centric mission operations— ill-suited to satellites that differ by orders of magnitude in Size, Weight, Power, and Cost (SWAP-C), radiation tolerance, link availability, and propagation delay. We propose a heterogeneous federated learning method based on the FractalNet architecture for orbital edge intelligence. We formalize contact-window-constrained, depth-heterogeneous federated optimization and introduce a distributed path scheduler that assigns model depth as a function of SWAP-C constraints, predicted inter-satellite contacts, and training statistics. To reduce message overhead and energy consumption, each tier pools updates periodically rather than at every contact opportunity, and a three-tier agentic control plane governs in-space scheduling, anomaly escalation, and policy-governed autonomy. As a case study, we apply the framework to wildfire detection, where each orbital shell naturally learns a different semantic level of situational awareness: pixel-scale thermal anomalies at low Earth orbit (LEO), regional fire-front dynamics at medium Earth orbit (MEO), and larger-scale risk propagation at geostationary or high Earth orbit (GEO/HEO). Experiments on simulated mega-constellations validate the approach across convergence, communication efficiency, energy adaptation, scheduled-pooling savings, robustness, and latency.
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Machine Learning · Cross-listed from math.AP

Sharp Mixed Spectral Barron Regularity of Coulombic Many-Electron Wave Functions

We establish sharp mixed spectral Barron regularity for eigenfunctions of molecular Coulomb Hamiltonians. The mixed norm is a Fourier $L^1$ norm with one isotropic weight and coordinate-product weights, and therefore detects regularity invisible to the isotropic Barron scale. For a nonempty set $I$ of electron indices on which the wave function is antisymmetric, we derive an explicit admissible region for the isotropic order $s$ and the coordinate orders $\alpha,\beta$. This region is optimal as a uniform statement over the class of clamped-nuclei Coulomb Hamiltonians. For fixed-spin components with two occupied spin blocks, it reduces to $s+\alpha+\beta<1$; in the fully spin-polarized class it reduces to $s+\alpha<1$. In particular, if $\mathcal I_\sigma$ denotes the family of occupied same-spin blocks determined by $\sigma$, then every fixed-spin spatial component $\psi_\sigma$ satisfies, for every $0\leq\alpha<1$, \[ \left(\sum_{I\in\mathcal I_\sigma}\prod_{i\in I}\langle\xi_i\rangle^\alpha\right)\widehat{\psi_\sigma}\in L^1(\mathbb{R}^{3N}). \] For a fully spin-polarized state, $\mathcal I_\sigma=\{\{1,\ldots,N\}\}$.
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Machine Learning · Cross-listed from cs.CV

The Visual Insensitivity Gap: Diagnosing When Vision-Language Models Fail to Use Visual Evidence

Vision-language models are evaluated by aggregate accuracy on multimodal benchmarks, a practice that implicitly assumes the model uses its visual input. We show this assumption fails on 40%–97% of samples across six VLMs and three perceptual benchmarks: blurring the question-relevant visual region leaves the next-token distribution nearly unchanged. We name this phenomenon the Visual Insensitivity Gap and quantify it with a per-sample Visual Sensitivity Index (VSI). The gap is a property of samples, not of models: VSI ranks correlate across models (grand-mean Spearman rho=+0.40, permutation p<10^-3), so the same samples are flagged insensitive by VLMs sharing no architectural detail beyond a contrastively pretrained vision tower. The mechanism is concrete: on the insensitive samples, a linear probe on each model's own vision tower distinguishes perturbed from clean images at 0.72–0.79 accuracy, yet the model's argmax token changes on only 2%–11% of the same samples, an encoder–LLM gap above 0.65 on every model. Mapping VSI's diagnostic utility cell by cell surfaces a strong regime (multi-choice reasoning on capable VLMs: AUROC=0.85–0.87) and a weak regime (well-calibrated factuality, where softmax confidence already leads). VSI is not a universal best abstention signal; it is a sample-intrinsic indicator of vision-ignoring failure, best used as a conditional ensemble component.
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Machine Learning

MemoryWalker: Stop Training Agents on Contexts They Never Saw

Production agent harnesses such as Claude Code and Qwen-Agent compress context during rollout, but training under compression creates a conditioning problem: every eviction branches the effective history, so the learning object is a tree rather than a sequence. Existing linearizations either retain the rightmost path, causing time-travel leakage, or replay a depth-first traversal, causing train-inference mismatch. We introduce two exact, gradient-equivalent corrections: LogitTree, a segmented K-forward traversal, and a packed 4D attention mask. LogitTree requires K+1 backward passes; the 4D mask requires a custom kernel and white-box eviction records. We also propose SDCC (Self-Distillation for Conditioning Consistency), a single-backward-pass variational relaxation. At each eviction, it minimizes forward KL between the compressed student and a stop-gradient teacher on the reconstructed pre-eviction prefix. A residual per-junction KL of epsilon_KL gives an O(sqrt(epsilon_KL)) bound on the train-deployment total-variation gap. SDCC also applies to black-box harnesses. On seven web-search benchmarks with TC-RAG, AgentFold, MemexRL, Claude Code, and OpenCode, naive training inflates the train-rollout log-probability gap, especially on eviction-heavy batches. The exact methods stay at the no-compression floor, and SDCC substantially closes the gap, with lower logit drift and higher rollout rewards.
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All authors Zinco J, Xunjie Zhu, Shen Huang, Zhenyi Wang, Pengjun Xie, Jieping Ye

Machine Learning

Conditional Flow Matching for ML-Based Inverse Design Problems

Engineering inverse design is often limited by the high computational cost of iterative solvers for optimization problems constrained by partial differential equations (PDEs) and by their sensitivity to initialization. Deep generative models can produce candidate designs without rerunning the simulator at inference time. Generative adversarial networks (GANs) sample in one forward pass, whereas diffusion models require iterative reverse-time integration. In this work, we add conditional flow matching (CFM) to EngiOpt and compare it with a conditional diffusion model and a conditional generative adversarial network (cGAN) on structural (beams2d) and thermal (heatconduction2d) benchmarks from EngiBench using the same downstream optimization protocol. We use cumulative optimality gap (COG) and final optimality gap (FOG) as the primary metrics for evaluating the generated designs as warm starts for gradient-based refinement. On the evaluated EngiOpt implementations and two EngiBench tasks, CFM achieves the lowest measured COG, FOG, maximum mean discrepancy (MMD), and volume-fraction deviation on both tasks. CFM has mean volume-fraction deviations of 0.4% and 1.0% on beams2d and heatconduction2d, respectively, compared with 3.8% and 11.2% for diffusion. At Euler s = 16, CFM achieves 53.2 samples/s on beams2d, about 66 times the measured throughput of the evaluated diffusion baseline using 1000 network evaluations under the same timing protocol, with COG 1.182 +/- 3.126, compared with 1.173 +/- 3.100 for Euler s = 32. Across the two tasks, CFM produces warm starts with lower measured COG than both baselines and uses fewer network evaluations than diffusion.
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All authors Juliana Felder, Milad Habibi, Soheyl Massoudi, Mark Fuge

Machine Learning · Cross-listed from cs.SE

Does Fault Localization Beat a Fresh Attempt? A Placebo-Controlled Study of Test-Guided Code Repair

Fault localization can focus a code model's repair on the statements a failing test implicates, but a targeted edit may succeed merely because it is small, and a second model call may succeed without using the failure at all. We separate these explanations with three arms applied to the same failed candidate: blind whole-solution resampling, spectrum-based localization followed by suspect-span infilling, and same-length infilling at a disjoint random code span. Across three frozen 26-32B models, three benchmarks and 488 failing candidates, plus a separately declared 24B fourth model from a third family, three results follow. First, localization is rarely available: only 9.0% of failing candidates expose a failing public test with a usable spectrum. Second, among the 177 candidates localizable from a strong suite, localized infilling loses decisively to blind resampling at a matched attempt count (3:40, p = 3.0 x 10^-9), opposite to our hypothesis; the loss replicates in a third family at -11.3 points (95% CI [-16.6, -6.8]), and widening the edit does not rescue it. Third, against the random-span placebo localized infilling leads pooled (11:1, Holm-adjusted p = .019), but that lead resolves in no individual model under the analysis our shipped plan designates primary (best Holm p = .087), so we report the location effect as suggestive rather than established. Re-pricing attempts as tokens narrows but does not overturn this: a span attempt spends 21.7 generated tokens against 371.1, yet 16 localized attempts reach 6.8% while one blind attempt already reaches 10.1%. Infilling reproduces the removed span verbatim in 48.9% of attempts, which is why more budget does not help. We restrict every localization conclusion to the 24-32B models tested.
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Machine Learning · Cross-listed from physics.ao-ph

A Checklist to assess the energy and carbon impacts of ML/AI applications in Earth System Modeling

As machine learning and artificial intelligence find their way into nearly every aspect of climate, weather, and Earth system modeling, it is worth pausing to consider what our design decisions imply for the science and for the computational resources we consume. A growing body of literature addresses the ethical and sustainable development of ML/AI, yet translating these principles into day-to-day research practice remains a challenge as most of best practices are dispersed across multiple studies and commentaries. Here, we distill these discussions into a practical checklist that ML/AI and Earth system science practitioners can use to assess and reduce the environmental footprint of their own applications, organised around the successive stages of the model development pipeline. We complement the checklist with a selection of metrics drawn from the literature for estimating the energy consumption and carbon footprint of a project. For each question, we point to concrete examples and actionable suggestions from recent literature, aiming to bridge the gap between aspirational principles and the decisions researchers face at every stage of the development cycle.
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All authors Filippo Dainelli, Amirpasha Mozaffari, Marina Castaño, Aina Gaya i Àvila, Lluís Palma Garcia, Alessio Melli, Oscar Dimdore Miles, Amanda Duarte

Machine Learning · Cross-listed from cs.CL

Dense Process Supervision for Search Agents via Fact Utility Estimation

Reinforcement learning (RL) for search agents typically relies on outcome rewards. However, it often fails to achieve effective credit assignment, due to the unclear value of intermediate steps. It is hard to separate their contributions from the final result. In this paper, we propose a dense process supervision method based on fact utility estimation, which models the reasoning process as the accumulation of discrete evidence facts. We first extract structured facts from raw observations and organize them into an explicit fact store. To support credit assignment, we then cluster semantically equivalent facts and infer the posterior utility of each fact cluster using Bayesian estimation over group rollouts. Finally, we convert the estimated fact utilities into dense step-level rewards to guide RL training. Experiments on seven single-hop and multi-hop QA benchmarks show that our method consistently outperforms existing baselines. Ablation studies validate clear relative improvements on multi-hop QA compared to outcome reward-only training.
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All authors Rongzhi Zhu, Xiangyu Liu, Yi Liu, Shuo Zhang, Ruirui Zhang, Rui Wu, Tao Jiang, Zequn Sun, Wenhao Xu, Wei Hu

Machine Learning

HarnessEvolve: Learning from Reference Trajectories for Reliable Agent Self-Evolution

Self-evolving agents advance toward autonomy by optimizing their harness—prompts, skills, tools, and execution logic—based on environmental feedback. This paradigm, however, is hampered by three challenges: credit assignment failure, where terminal success/failure feedback makes it ambiguous which step caused the error; shortcut learning, where agents memorize task-specific patterns rather than acquire generalizable capabilities; and catastrophic forgetting, where unguarded updates degrade previously acquired competence. In this paper, we introduce HarnessEvolve, a self-evolving framework that learns from reference trajectories to achieve reliable agent self-evolution. HarnessEvolve decouples the execution agent from the evolutionary pipeline, assigning execution, evaluation, optimization, and gating to independent agent modules, enabling generalizable and stable harness improvements. Specifically, HarnessEvolve overcomes credit assignment failure by generating reference trajectories (execution paths produced when given the ground-truth answers) and aligning failed executions against them to extract error signals, which are clustered to reveal systematic failure patterns. To prevent shortcut learning and catastrophic forgetting, candidate harness updates must pass two gates: a quality gate that filters data leakage and prompt bloat, and a performance gate that accepts each update if it improves on the current batch without degrading recent batches, with epoch-end validation on a held-out set selecting the best-performing accepted agent snapshot. We conduct extensive experiments on several benchmarks spanning open-domain and enterprise scenarios, using different models and agent frameworks. Results demonstrate that HarnessEvolve consistently outperforms state-of-the-art baselines across all benchmarks and settings, confirming reliability across task domains.
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All authors Wen Jiang, Mingmin Chu, Yimeng Tian, Qianxin Zhang, Haofei Yang, Rui Yang, Yang Liu, Tao Lv, Fangming Li

Machine Learning

Subspace Levenberg Marquardt Algorithms in Training Neural Networks

The Levenberg-Marquardt (LM) algorithm is a well-known second-order method for rapid convergence and strong robustness when training small- to medium-sized neural networks (NNs). However, its computational and memory costs increase significantly as the number of parameters in an NN grows. To address this limitation, subspace methods have been proposed, such as the Krylov subspace LM (KSLM) and the hybrid subspace LM (HSLM), making second-order algorithms more efficient. In this work, we evaluate the subspace Levenberg-Marquardt algorithms for regression and classification tasks in neural networks. We compare the performance of subspace LM variants with the classical LM method, as well as other popular first-order algorithms, such as stochastic gradient descent (SGD) and Adam.
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Machine Learning · Cross-listed from stat.ML

Semi-Supervised Classification with Informative Missing Labels in Weibull Mixture Models

We consider semi-supervised classification from a partially classified sample arising from a two-component Weibull mixture. The feature is observed for all data, whereas some class labels are missing. The probability of a missing label is modelled as a function of classification uncertainty, giving a feature-dependent missing-at-random (MAR) mechanism that shares parameters with the Weibull-mixture classifier. The missing-label indicators can therefore provide information about the classifier in addition to the observed features and available class labels. Under a common Weibull shape, a Bayes' rule has at most one positive decision boundary, which is unique when the rule is nonconstant; under unequal shapes, it can have two. We characterise these decision regions, derive the Fisher information for the classifier after adjustment for nuisance parameters in the missingness model, and obtain a decision-boundary expansion of the expected error rate of the plug-in sample rule relative to the Bayes error. The expansion yields classification-specific asymptotic relative efficiency formulas for the one- and two-boundary cases and shows that a positive-definite increase in Fisher information is sufficient, but not necessary, for a smaller first-order expected error rate. Numerical studies and a semi-synthetic analysis based on hard-drive failure data illustrate potential reductions in expected error rate and improvements in decision-boundary estimation from modelling feature-dependent label missingness.
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Machine Learning

Are You Thinking What I am Thinking? : Examining Conceptual Separation in Neural Architectures

Neural networks are increasingly employed to identify both well-defined and ambiguous concepts, yet output-level metrics reveal little about how those concepts are represented internally. Our study asks if these networks exhibit conceptual separation: if examples of the same concept form coherent representations, and whether related concepts lie closer together in the representation space. We examine this conceptual organisation in Convolutional Neural Networks (CNNs) and Large Language Models (LLMs) through geometric and distributional analysis of their internal activations. In CNNs, familiar ImageNet concepts form coherent and semantically ordered representations, while this coherence weakens for unseen concepts and suffers within-class domain shift. In LLMs, clearly distinct domains remain well separated, related subdomains move closer together, and the distinction between ambiguous topics collapses at both the mean and covariance level. These results suggest that conceptual separation can reveal structure that output accuracy alone cannot, and may serve as a useful diagnostic of how robustly a model represents the concepts it is asked to identify. Code and data available on \href{https://github.com/JaeeRoshniCapstoneProject/Are-You-Thinking-What-I-m-Thinking-Examining-Conceptual-Separation-in-Neural-Architectures}{GitHub}.
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