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Monday 11 May

Machine Learning · Cross-listed from cs.CV

Dynamic Cross-Modal Prompt Generation for Multimodal Continual Instruction Tuning

Multimodal Large Language Models (MLLMs) achieve strong performance through instruction tuning, yet real-world deployment often requires continual capability expansion across sequential tasks. In such scenarios, Multimodal Continual Instruction Tuning (MCIT) aims to acquire new capabilities while limiting catastrophic forgetting. Existing methods mainly follow a module-composition paradigm: they maintain task-level prompts or LoRA experts and dynamically route or aggregate a subset of them at inference. However, samples within the same task can still differ substantially in visual scenes, question intents, and reasoning demands. This motivates instance-level adaptation to individual query-image pairs rather than only selecting or combining task-level modules. To this end, we propose DRAPE (Dynamic Cross-Modal Prompt Generation), a prompt-learning framework that synthesizes continuous instance-specific soft prompts for MCIT. Instead of selecting prompts from a fixed pool, DRAPE derives prompt queries from the textual instruction and cross-attends to visual patch features, producing prompts conditioned on query-image pairs that are prepended to the frozen LLM. To mitigate forgetting during sequential updates, DRAPE applies null-space gradient projection to the shared projector and uses CLIP-based prototype routing for task-label-free generator selection at inference. Extensive experiments on MCIT benchmarks show that DRAPE achieves state-of-the-art performance among representative prompt-based and LoRA-based continual-learning baselines. Code is available at: https://github.com/LAMDA-CL/NeurIPS2026-Drape.
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Machine Learning

Reinforce Adjoint Matching: Scaling RL Post-Training of Diffusion and Flow-Matching Models

Diffusion and flow-matching models scale because pretraining is supervised regression: a clean sample is noised analytically, and a model regresses against a closed-form target. RL post-training aligns the model with a reward. In image generation, this makes samples compose objects correctly, render text legibly, and match human preferences. Existing methods rely on costly SDE rollouts, reward gradients, or surrogate losses, sacrificing pretraining's regression structure. We show that the structure extends to RL post-training. Under KL-regularized reward maximization, the optimal generative process tilts the clean-endpoint distribution towards samples with higher reward and leaves the noising law unchanged. Combining this with the adjoint-matching optimality condition and a REINFORCE identity, we derive Reinforce Adjoint Matching (RAM): a consistency loss that corrects the pretraining target with the reward. At each step, we draw a clean endpoint from the current model, evaluate its reward, noise it as in pretraining, and regress. No SDE rollouts, backward adjoint sweeps, or reward gradients are required. Like the pretraining objective, RAM is simple and scales. On Stable Diffusion 3.5M, RAM achieves the highest reward on composability, text rendering, and human preference, reaching Flow-GRPO's peak reward in up to $50\times$ fewer training steps.
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All authors Andreas Bergmeister, Stefanie Jegelka, Nikolas Nüsken, Carles Domingo-Enrich, Jakiw Pidstrigach

Machine Learning

Provable Sparse Inversion and Token Relabel Enhanced One-shot Federated Learning with ViTs

One-Shot Federated Learning, where a central server learns a global model in a single communication round, has emerged as a promising paradigm. However, under extremely non-IID settings, existing data-free methods often generate low-quality data that suffers from severe semantic misalignment with ground-truth labels. To overcome these issues, we propose a novel Federated Model Inversion and Token Relabel (FedMITR) framework, which trains the global model by fully exploiting all patches of synthetic images. Specifically, FedMITR employs sparse model inversion during data generation, selectively inverting semantic foregrounds while halting the inversion of uninformative backgrounds. To address semantically meaningless tokens that hinder ViT predictions, we implement a differentiated strategy: patches with high information density utilize generated pseudo-labels, while patches with low information density are relabeled via ensemble models for robust distillation. Theoretically, our analysis based on algorithmic stability reveals that Sparse Model Inversion eliminates gradient instability arising from background noise, while Token Relabel effectively reduces gradient variance, collectively guaranteeing a tighter generalization bound. Empirically, extensive experimental results demonstrate that FedMITR substantially outperforms existing baselines under various settings.
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All authors Li Shen, Xiaolei Hao, Qinglun Li, Xiaochun Cao, Zhifeng Hao, Xun Yang

Machine Learning

AdaPaD: Adaptive Parallel Deflation for PEFT with Self-Correcting Rank Discovery

Fine-tuning large language models with LoRA requires choosing a rank r before training starts. Existing approaches either extract rank-1 components sequentially, freezing each component's error permanently into every subsequent residual, or optimize the full low-rank factorization jointly with guarantees that describe only the joint update, not individual rank-1 directions. We present AdaPaD (Adaptive Parallel Deflation), which trains all rank-1 components simultaneously: each worker refines its component against a deflation target built from the latest estimates of all predecessors, and as those estimates improve, the targets improve too. We call this property self-correction: deflation errors converge to zero over rounds rather than persisting as fixed residuals. On top of this backbone, AdaPaD adds advance learning (private pre-training before activation) and per-module dynamic rank discovery (importance-based growth until a shared budget is exhausted), making the rank distribution an output rather than an input. We prove that every component's error decays exponentially after a warm-up period, with a generalization bound that splits into a vanishing algorithmic term and an irreducible statistical floor. Empirically, AdaPaD is competitive with adaptive-rank LoRA baselines on GLUE with DeBERTaV3-base at matched parameter budgets, and competitive with fixed-rank LoRA on Qwen3-0.6B SQuAD/SQuAD v2 while deploying an adapter that is on average 30.7% smaller.
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Machine Learning

XQCfD: Accelerating Fast Actor-Critic Algorithms with Prior Data and Prior Policies

For reinforcement learning in the real world online exploration is expensive A common practice in robotic reinforcement learning is to incorporate additional data to improve sample efficiency Expert demonstration data is often crucial for solving hard exploration tasks with sparse rewards While prior data is used to augment experience and pretrain models we show that the design of existing algorithms fails to achieve the sample efficiency that is possible in this setting due to a failure to use pretrained policies effectively We propose XQCfD which extends the sample-efficient XQC actor-critic to learn from demonstrations using augmented replay buffers pretrained policies and stationary policy architectures designed to avoid rapidly unlearning the strong initial policy like prior works We show our stationary network architecture enables policy improvement out-of-distribution better than standard network architectures due to its higher entropy predictions XQCfD achieves state of the art performance across a range of complex manipulation tasks with sparse rewards from the popular Adroit Robomimic and MimicGen benchmarks – notably with a low update-to-data ratio and no ensemble networks
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All authors Daniel Palenicek, Florian Vogt, Joe Watson, Ingmar Posner, Danica Kragic, Jan Peters

Machine Learning

Kernel-Gradient Drifting Models

We propose kernel-gradient drifting, a one-step generative modeling framework that replaces the fixed Euclidean displacement direction in drifting models with directions induced by the kernel itself. Standard drifting is attractive because it enables fast, high-quality generation without distilling a large pretrained diffusion model, but its theory is currently understood mainly for Gaussian kernels, where the drift coincides with smoothed score matching and is identifiable. Our gradient-based reformulation exposes this score-based structure for general kernels: the resulting drift is the score difference between kernel-smoothed data and model distributions, yielding identifiability for characteristic kernels and a smoothed-KL descent interpretation of the smoothed drifting dynamics. Since kernel gradients are intrinsic tangent vectors, the same construction extends naturally to Riemannian manifolds and to discrete data via the Fisher-Rao geometry of the probability simplex. Across spherical geospatial data, promoter DNA and molecule generation, kernel-gradient drifting enables state-of-the-art one-step generation beyond the Euclidean setting without distillation. Code is available \href{https://github.com/jcarrascopollo/kgd_thesis}{here}.
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All authors Maria Esteban-Casadevall, Jorge Carrasco-Pollo, Max Welling, Jan-Willem van de Meent, Erik J. Bekkers, Floor Eijkelboom

Machine Learning · Cross-listed from cs.CV

AgentMV: A State-Guided Multi-Agent Framework for Budget-Aware Music Video Generation

Generating a complete music video from a song requires more than synthesizing visually plausible clips for individual lyric prompts. A practical system must maintain long-range visual consistency, coordinate recurring motifs, synchronize edits with musical structure, and manage the cumulative cost of video generation. Existing approaches typically generate segments independently or adopt fixed generation strategies, limiting their ability to perform global planning over an entire song. We present AgentMV, a state-guided multi-agent framework for budget-aware music video generation. AgentMV decomposes the production process into specialized agents for music perception, script planning, visual asset provision, segment realization, and final assembly, coordinated through a Structured Persistent State that enables information exchange and state tracking throughout the generation process. To optimize generation resources, we formulate motif-aware segment realization as a group-level Multiple-Choice Knapsack Problem solved via dynamic programming, considering segment importance, generation quality, cost, and motif reuse under a global budget constraint. Experiments on song benchmarks demonstrate that AgentMV improves quality-cost trade-offs over existing MV generation frameworks, highlighting the potential of state-guided multi-agent coordination and budget-aware planning for long-form music video generation with improved quality and efficiency.
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All authors Huimin Wang, Chang Xia, Leilei Ouyang, Yongqi Kang, Yu Fu, Yuqi Ouyang

Machine Learning

On Improving Graph Neural Networks for QSAR by Pre-training on Extended-Connectivity Fingerprints

Molecular Graph Neural Networks (GNNs) are increasingly common in drug discovery, particularly for Quantitative Structure-Activity Relationship (QSAR) studies; yet, their superiority compared to classical molecular featurisation approaches is disputed. We report a general strategy for improving GNNs for QSAR by pre-training to predict Extended-Connectivity Fingerprints (ECFP). We validate our approach with statistical tests and challenging out-of-distribution (OOD) splits. Across five out of six Biogen benchmarks, we observed a statistically significant improvement in standard performance metrics over all evaluated baselines when using ECFP pre-trained GNNs. However, for more heterogeneous datasets and more complex endpoints, such as binding affinity prediction, pre-trained GNNs underperformed in OOD settings. Importantly, we investigated the impact of substructure-level data leakage during pre-training on downstream performance. While we identified scenarios where pre-training on ECFPs was less effective, our findings show that ECFP-based pre-training can enhance downstream OOD performance on a diverse set of practically relevant QSAR tasks.
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All authors Sam Money-Kyrle, Markus Dablander, Thierry Hanser, Stephane Werner, Charlotte M. Deane, Garrett M. Morris

Machine Learning · Cross-listed from cs.DC

An Uncertainty-Aware Resilience Micro-Agent for Causal Observability in the Computing Continuum

Grey failures in the computing continuum produce ambiguous overlapping symptoms that existing approaches fail to diagnose reliably, either due to a lack of causal awareness or acting under high epistemic uncertainty, risking destructive interventions. This paper presents an uncertainty-aware resilience micro-agent for causal observability (AURORA), a lightweight framework for diagnosing and mitigating grey failures in edge-tier environments. The framework employs parallel micro-agents that integrate the free-energy principle, causal do-calculus, and localized causal state-graphs to support counterfactual root-cause analysis within each fault's Markov blanket. Restricting inference to causally relevant variables reduces computational overhead while preserving diagnostic fidelity. AURORA further introduces a dual-gated execution mechanism that authorizes remediation only when causal confidence is high and predicted epistemic uncertainty is bounded; otherwise, it abstains from local intervention and escalates the diagnostic payload to the fog tier. Our experiments demonstrate that AURORA outperforms baselines, achieving a 0% destructive action rate, while maintaining 62.0% repair accuracy and a 3ms mean time to repair.
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All authors Suvi De Silva, Alfreds Lapkovskis, Alaa Saleh, Sasu Tarkoma, Praveen Kumar Donta

Machine Learning

Heteroscedastic Diffusion for Multi-Agent Trajectory Modeling

Multi-agent trajectory modeling traditionally focuses on forecasting, often neglecting more general tasks like trajectory completion, which is essential for real-world applications such as correcting tracking data. Existing methods also generally predict agents' states without offering any state-wise measure of heteroscedastic uncertainty. Moreover, popular multi-modal sampling methods lack error probability estimates for each generated scene under the same prior observations, which makes it difficult to rank the predictions at inference time. We introduce U2Diffine, a unified diffusion model built to perform trajectory completion while simultaneously offering state-wise heteroscedastic uncertainty estimates. This is achieved by augmenting the standard denoising loss with the negative log-likelihood of the predicted noise, and then propagating the latent space uncertainty to the real state space using a first-order Taylor approximation. We also propose U2Diff, a faster baseline that avoids gradient computation during sampling. This approach significantly increases inference speed, making it as efficient as a standard generative-only diffusion model. For post-processing, we integrate a Rank Neural Network (RankNN) that enables error probability estimation for each generated mode, demonstrating strong correlation with ground truth errors. Our method outperforms state-of-the-art solutions in both trajectory completion and forecasting across four challenging sports datasets (NBA, Basketball-U, Football-U, Soccer-U), underscoring the effectiveness of our uncertainty and error probability estimation.
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All authors Guillem Capellera, Antonio Rubio, Luis Ferraz, Antonio Agudo

Machine Learning

What should post-training optimize? A test-time scaling law perspective

Large language models are increasingly deployed with test-time strategies: sample $N$ responses, score them with a reward model or verifier, and return the best. This deployment rule exposes a mismatch in post-training: standard objectives optimize the mean reward of a single response, whereas best-of-$N$ performance is governed by the upper tail of the reward distribution. Recent test-time-aware objectives partly address this mismatch, but typically assume that training can use the same per-prompt rollout budget as deployment, which is impractical when post-training must cover many prompts while deployment can allocate much larger per-prompt test-time compute. We study this budget-mismatch regime, where only $m\ll N$ per-prompt rollouts are available during training but the target objective is best-of-$N$ deployment. Under structural assumptions on the reward tails, we show that the policy gradient of the best-of-$N$ objective can be approximated from a much smaller rollout group by extrapolating upper-tail statistics. This yields a family of Tail-Extrapolated estimators for best-of-$N$-oriented post-training: a simple direct estimator, Tail-Extrapolated Advantage (TEA), and a fixed-order debiased Prefix-TEA estimator based on moment cancellation. Experiments on instruction-following tasks show that TEA and Prefix-TEA improve best-of-$N$ performance across different language models, reward models and datasets under various training and test-time budget settings.
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Machine Learning · Cross-listed from stat.ML

Price of Quality: Sufficient Conditions for Sparse Recovery using Mixed-Quality Data

We study sparse recovery when observations come from mixed-quality sources: a small collection of high-quality measurements with small noise variance and a larger collection of lower-quality measurements with higher variance. For this heterogeneous-noise setting, we establish sample-size conditions for information-theoretic and algorithmic recovery. On the information-theoretic side, we show that it is sufficient for $(n_1, n_2)$ to satisfy a linear trade-off defining the Price of Quality: the number of low-quality samples needed to replace one high-quality sample. In the agnostic setting, where the decoder is completely agnostic to the quality of the data, it is uniformly bounded, and in particular one high-quality sample is never worth more than two low-quality samples for this sufficient condition to hold. In the informed setting, where the decoder is informed of per-sample variances, the price of quality can grow arbitrarily large. On the algorithmic side, we analyze the LASSO in the agnostic setting and show that the recovery threshold matches the homogeneous-noise case and only depends on the average noise level, revealing a striking robustness of computational recovery to data heterogeneity. Together, these results give the first conditions for sparse recovery with mixed-quality data and expose a fundamental difference between how the information-theoretic and algorithmic thresholds adapt to changes in data quality.
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Machine Learning

RelFlexformer: Efficient Attention 3D-Transformers for Integrable Relative Positional Encodings

We present a new class of efficient attention mechanisms applying universal 3D Relative Positional Encoding (RPE) methods given by arbitrary integrable modulation functions $f$. They lead to the new class of 3D-Transformer models, called RelFlexformers, flexibly integrating those RPEs, and characterized by the $O(L \log L)$ time complexity of the attention computation for the $L$-length input sequences. RelFlexformers builds on the theory of the Non-Uniform Fourier Transform (NU-FFT), naturally generalizing several existing efficient RPE-attention methods from structured settings with tokens homogeneously embedded in unweighted grids into general non-structured heterogeneous scenarios, where tokens' positions are arbitrarily distributed in the corresponding 3D spaces. As such, RelFlexformers can be applied in particular to model point clouds. Our extensive empirical evaluation on a large portfolio of 3D datasets confirms quality improvements provided by the NU-FFT-driven attention modulation techniques in the RelFlexformers.
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All authors Byeongchan Kim, Arijit Sehanobish, Avinava Dubey, Min-hwan Oh, Krzysztof Choromanski

Machine Learning

DANCE: Detect and Classify Events in EEG

Event identification in continuous neural recordings is a critical task in neuroscience. Decoding in EEG is dominated by classifying windows aligned to known event onsets. However, while available in controlled experiments, such onsets are absent in continuous real-world monitoring. Here, we introduce DANCE, a deep learning pipeline that frames neural decoding as a set-prediction problem and jointly detects and classifies events directly from raw, unaligned signals. Evaluated separately on ten datasets curated from the literature with a wide variety of event types (ranging from milliseconds to minutes in duration), our model outperforms existing methods on a broad range of cognitive, clinical and BCI tasks. This single architecture establishes a new state of the art in the competitive task of seizure monitoring and matches the accuracy of onset-informed models for BCI tasks. Overall, our method marks a step towards end-to-end asynchronous neural decoding models
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All authors Jarod Lévy, Hubert Banville, Jérémy Rapin, Jean-Remi King, Thomas Moreau, Stéphane d'Ascoli

Machine Learning

The finite expression method for turbulent dynamics with high-order moment recovery

Turbulent dynamical systems are characterized by nonlinear interactions and stochastic effects that generate coupled statistical quantities, such as non-zero higher-order moments, which are difficult to capture from data with accuracy. We propose a two-stage data-driven modeling framework that combines symbolic regression with generative models to jointly identify the governing dynamics and predict their key statistical quantities. In Stage I of the framework, the Finite Expression Method (FEX) is adopted to discover closed-form expressions of the deterministic dynamics, recovering nonlinear interaction terms and external forcing without predefined libraries. In Stage II, generative models are introduced to learn the residual stochastic components as a refined correction to the model error from the Stage I approximation, enabling accurate characterization of higher-order statistics. Theoretical analysis establishes the consistency of the symbolic estimator and quantifies the estimation error in terms of data size and numerical discretization. The model performance is verified through detailed numerical experiments on the stochastic triad models across multiple regimes, demonstrating that the framework successfully recovers interaction terms and forcing expressions, and accurately predicts statistical moments up to order five. These results highlight the potential of integrating interpretable symbolic discovery with data-driven stochastic modeling for complex turbulent systems.
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Machine Learning

Is Data Shapley Not Better than Random in Data Selection? Ask NASH

Data selection studies the problem of identifying high-quality subsets of training data. While some existing works have considered selecting the subset of data with top-$m$ Data Shapley or other semivalues as they account for the interaction among every subset of data, other works argue that Data Shapley can sometimes perform ineffectively in practice and select subsets that are no better than random. This raises the questions: (I) Are there certain "Shapley-informative" settings where Data Shapley consistently works well? (II) Can we strategically utilize these settings to select high-quality subsets consistently and efficiently? In this paper, we propose a novel data selection framework, NASH (Non-linear Aggregation of SHapley-informative components), which (I) decomposes the target utility function (e.g., validation accuracy) into simpler, Shapley-informative component functions, and selects data by optimizing an objective that (II) aggregates these components non-linearly. We demonstrate that NASH substantially boosts the effectiveness of Shapley/semivalue-based data selection with minimal additional runtime cost.
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All authors Xiao Tian, Jue Fan, Rachael Hwee Ling Sim, Zixuan Wang, Nancy F. Chen, Bryan Kian Hsiang Low

Machine Learning · Cross-listed from cs.IT

Scalable Mamba-Based Message-Passing Neural Decoder for Error-Correcting Codes

Forward error correction is essential for reliable communication over noisy channels. Attention-based model-free neural decoders have shown strong performance for short codes, but their scalability to longer codes is limited by the quadratic memory and computational cost of attention. In this paper, we introduce the Mamba message-passing decoder (MMPD), an attention-free syndrome-based neural decoder for binary linear codes. MMPD retains the Tanner-graph structure of a message-passing decoder by performing local pairwise aggregation along variable-check edges. To enable efficient long-range information propagation, these local updates are combined with bidirectional Mamba state-space blocks. By avoiding dense attention matrices, MMPD scales more favorably for long codes in both memory and computation. Experiments on the (1056, 880) LDPC code show that MMPD achieves a 0.45 dB gain over the state-of-the-art CrossMPT decoder at a specified target bit error rate, while reducing memory consumption by a factor of 1.5. This reduction factor increases substantially for longer codes, demonstrating the applicability of MMPD to scalable neural decoding of practical long codes.
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All authors Rostislav Gusev, Nikita Aleksandrov, Artem Solomkin, Dmitry Artemasov

Machine Learning

Behavioral Guarantees for Proxy-Based Unlearning

This paper proposes a framework generalizing recent proxy-based unlearning methods and proves theoretical guarantees about the behavior of the resulting unlearned model: upper bounds on its Kullback-Leibler divergence to the ideal posterior distribution of the retain data. We model approximate unlearning as a constrained optimization problem and interpret a family of solutions as introducing a scaled unlearning signal in the output space. The unlearning signal arises from proxies of the posterior data distributions. Its scale is adapted to the proxies to ensure the behavioral upper bounds. This framework relies on the structure of the data distributions in order to create proxies. If need be, the target serves as a teacher to distill the update in the weights. Our approach is experimentally validated over two forgetting scenarios as reaching the closest classifier to the model retrained from scratch.
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Machine Learning · Cross-listed from cs.CV

Not Blind but Silenced: Rebalancing Vision and Language via Adversarial Counter-Commonsense Equilibrium

During MLLM decoding, attention often abnormally concentrates on irrelevant image tokens. While existing research dismisses this as invalid noise and forcibly redirects attention to compel focusing on key image information, we argue these tokens are critical carriers of visual and narrative logic, and such coercive corrections exacerbate visual-language imbalance. Adopting a "decoding-as-game" perspective, we reveal that hallucinations stem from an equilibrium imbalance between linguistic priors and visual information. We propose Adversarial Counter-Commonsense Equilibrium (ACE), a training-free framework that perturbs visual context via counter-commonsense patches. Leveraging the fact that authentic visual features remain stable under perturbation while hallucinations fluctuate, ACE implements a dynamic game decoding strategy. This approach precisely suppresses perturbation-sensitive priors while compensating for stable visual signals to restore balance. Extensive experiments demonstrate that ACE, as a plug-and-play strategy, enhances model trustworthiness with negligible inference overhead.
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All authors Qingxin Xiao, Peilin Zhao, Yangyang Zhao, Lingwei Dang, Qingyao Wu

Machine Learning

Step Rejection Fine-Tuning: A Practical Distillation Recipe

Rejection Fine-Tuning (RFT) is a standard method for training LLM agents, where unsuccessful trajectories are discarded from the training set. In the context of SWE-bench tasks, this corresponds to filtering out runs where the submitted patch does not pass the tests. However, this approach discards unresolved trajectories, even though they form a large portion of all trajectories for hard tasks and even then may be partially correct. In this work, we propose Step Rejection Fine-Tuning (SRFT) - a practical way to leverage these unresolved trajectories. For this, we employ a critic LLM to assess the correctness of each step in a trajectory. Consequently, during training, we mask the loss for erroneous steps while retaining them in the context window. This way we ensure the model learns to recover from errors without reproducing them. Evaluation on SWE-bench Verified shows that while RFT improves the resolution rate by 2.4% by excluding unresolved trajectories, SRFT improves it by 3.7% by filtering them instead of discarding completely, reaching the total resolution rate of 32.2%.
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All authors Igor Slinko, Ilia Zavidnyi, Egor Bogomolov, Yaroslav Zharov

Machine Learning

Compander-Aligned Query Geometry for Quantized Zeroth-Order Optimization

Low-bit forward evaluation is an attractive route to memory-efficient zeroth-order (ZO) adaptation: the optimizer needs only scalar losses, and the model can be queried near deployment precision. The obstacle is that a quantized ZO query is not a continuous finite difference followed by harmless storage rounding. The query chooses endpoints, the low-precision engine rounds them, and the loss difference is measured along the rounded chord. For nonuniform companding quantizers, this makes the codebook insufficient to predict ZO behavior: a fixed weight-space radius can collapse in dense cells, over-span sparse cells, or assign a rounded chord to an unrounded update direction. We identify the missing object as query geometry and model scalar nonuniform quantization as $Q = \phi^{-1} \circ U \circ \phi$. CAQ-ZO (Compander-Aligned Queries for Zeroth-Order Optimization) forms one-grid-step Rademacher stencils $z \pm \Delta r$ in $z = \phi(x)$, maps endpoints back through $\phi^{-1}$, and updates in $z$. Our theory proves the grid-span mismatch, decomposes endpoint-rounding estimator residuals, and gives stationarity bounds in which generic off-grid queries retain a $\Delta^2/\mu^2$ residual channel while CAQ-ZO makes the query-time residual exactly zero. Synthetic experiments isolate this channel, and matched NF4 Qwen/Llama fine-tuning shows that CAQ-ZO improves the trained NF4 baseline under the same quantizer and evaluation budget.
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Machine Learning

Natural Policy Gradient as Doubly Smoothed Policy Iteration: A Bellman-Operator Framework

In this work, we show that natural policy gradient, a core algorithm in reinforcement learning, admits an exact formulation as a smoothed and averaged form of policy iteration. Specifically, we introduce doubly smoothed policy iteration (DSPI), a Bellman-operator framework in which each policy is obtained by applying a regularized greedy step to a weighted average of past $Q$-functions. DSPI includes policy iteration, dual-averaged policy iteration, natural policy gradient, and more general policy dual averaging methods as special cases. Using only monotonicity and contraction of smoothed Bellman operators, we prove distribution-free global geometric convergence of DSPI. Consequently, standard natural policy gradient and policy dual averaging achieve an iteration complexity of $\mathcal{O}((1-\gamma)^{-1}\log((1-\gamma)^{-1}\epsilon^{-1}))$ for computing an $\epsilon$-optimal policy, without modifying the MDP, adding regularization beyond the mirror map inherent in the update, or using adaptive, trajectory-dependent stepsizes. For the unregularized greedy case, corresponding to dual-averaged policy iteration, we also prove finite termination. The same Bellman-operator framework further extends to discounted MDPs with linear function approximation and stochastic shortest path problems.
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Machine Learning

A Spectral Framework for Closed-Form Relative Density Estimation

We propose a closed-form spectral framework for relative log-density estimation in linearly parameterized probabilistic models, including unnormalized and conditional models. This is achieved by representing the Kullback-Leibler (KL) divergence as an integral of weighted chi-squared divergences, converting KL estimation into a family of least-squares problems. We derive an explicit spectral formula based only on first- and second-order feature moments, yielding closed-form estimators of both divergences and log-density potentials for fixed features. The framework extends to a broad class of f-divergences and can be combined with kernelization or feature learning with neural networks. We prove convergence guarantees for the resulting estimators and empirically compare them on synthetic data with optimization-based variational formulations, including logistic and softmax regression for normalized conditional models.
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Machine Learning

Why Zeroth-Order Adaptation May Forget Less: A Randomized Shaping Theory

Continual learning requires new-task adaptation without damaging previously acquired capabilities. Recent forward-pass and zeroth-order (ZO) results show that low-query adaptation may retain better than first-order (FO) descent, but the usual view of ZO as noisy FO estimation does not explain why. We give a local randomized gradient-shaping analysis: finite differences expose a raw shape that is mean-aligned with FO, while the norm-matched comparator fixes the expected squared adaptation norm. Under this controlled comparison, forgetting depends on how the adaptation shape exposes retention curvature. For norm-matched ZO, the expected shaped retention curvature obeys an exact identity that preserves the isotropic retention floor while contracting only the anisotropic component. Projecting this identity onto the incoming gradient yields the observable FO–ZO quadratic forgetting gap: ZO improves mean forgetting precisely when the FO direction has above-average retention curvature, by a query-dependent fraction of that curvature excess. A practical finite-query accounting separates the mean mechanism from one-batch sampling and smoothing perturbations. As an algorithmic transfer, RISE applies the calibrated ZO shape to exact FO gradients inside parameter blocks. Its target is a stability–plasticity tradeoff: randomized shaping may reduce the retention exposure paid by FO, exact gradients remove finite-smoothing bias from finite-difference ZO, and blockwise sampling supplies many local shaping directions after one gradient computation. The blockwise analysis separates mean-step damage from centered random exposure, showing how block-diagonal curvature, cross-block coupling, and local shaping diagnostics specify where this exact-gradient transfer is most likely to be visible.
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Machine Learning

BCJR-QAT: A Differentiable Relaxation of Trellis-Coded Weight Quantization

Trellis-coded quantization sets the current 2-bit post-training frontier for LLMs (QTIP), but pushing below the PTQ ceiling requires quantization-aware training, and QAT on a trellis is obstructed by the non-differentiable Viterbi argmax. We introduce BCJR-QAT, a relaxation that replaces the argmax with the BCJR forward-backward sum-product algorithm at temperature $T$, producing a soft codeword equal to the Boltzmann expectation over trellis paths, exactly differentiable, recovering the hard QTIP code as $T \to 0$, and mathematically identical to the transfer-matrix computation for a 1D Ising-like spin chain. We contribute (i) a fused Triton kernel making BCJR tractable on a single consumer GPU ($6.57\times$ speedup, fp32 parity); (ii) a quantitative drift-budget theory of when BCJR-QAT can escape the QTIP-PTQ Voronoi basin, verified across four experiments; and (iii) a positive empirical result on Llama-3.2-1B at 2 bpw under end-to-end forward-KL distillation: with the right schedule (skip the high-$T$ phase to avoid an overshoot we diagnose), single-layer BCJR-QAT beats QTIP-PTQ by $\mathbf{-0.084}$ PPL on WikiText-2, and multi-layer compounding is super-additive.
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Machine Learning

Active Learning for Gaussian Process Regression Under Self-Induced Boltzmann Weights

We consider the active learning problem where the goal is to learn an unknown function with low prediction error under an unknown Boltzmann distribution induced by the function itself. This self-induced weighting arises naturally in problems such as potential energy surface (PES) modeling in computational chemistry, yet poses unique challenges as the target distribution is unknown and its partition function is intractable. We propose AB-SID-iVAR, a Gaussian Process-based acquisition function that approximates the intractable Bayesian target distribution in closed form while avoiding partition function estimation, and is applicable to both discrete and continuous input domains. We also analyze a Thompson sampling alternative (TS-SID-iVAR) as a higher variance Monte Carlo variant. Despite the unknown target, under mild conditions, we establish that the terminal prediction error vanishes with high probability, and provide a tighter average-case guarantee. We demonstrate consistent improvements over existing approaches in this setting on synthetic benchmarks and real-world PES modeling and drug discovery tasks. Our code is available at https://github.com/TsingQAQ/SIDAL
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Machine Learning

A Recursive Decomposition Framework for Causal Structure Learning in the Presence of Latent Variables

Constraint-based causal discovery is widely used for learning causal structures, but heavy reliance on conditional independence (CI) testing makes it computationally expensive in high-dimensional settings. To mitigate this limitation, many divide-and-conquer frameworks have been proposed, but most assume causal sufficiency, i.e., no latent variables. In this paper, we show that divide-and-conquer strategies can be theoretically generalized beyond causal sufficiency to settings with latent variables. Specifically, we propose a recursive decomposition framework, termed DiCoLa, that enables divide-and-conquer causal discovery in the presence of latent variables. It recursively decomposes the global learning task into smaller subproblems and integrates their solutions through a principled reconstruction step to recover the global structure. We theoretically establish the soundness and completeness of the proposed framework. Extensive experiments on synthetic data demonstrate that our approach significantly improves computational efficiency across a range of causal discovery algorithms, while experiments on a real-world dataset further illustrate its practical effectiveness.
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All authors Zheng Li, Feng Xie, Shenglan Nie, Xichen Guo, Ruxin Wang, Hao Zhang

Machine Learning

A Random-Matrix Criterion for Initializing Gated Recurrent Neural Networks

Proper weight initialization prior to training has historically been one of the key factors that helped kick off the deep learning revolution. Initialization is even more crucial in "reservoir computing", where the weights of a readout layer are learned linearly while the reservoir weights are fixed and largely determine the richness, stability and memory of the resulting dynamics. In the infinite-width limit it has been shown that meaningful initializations are those sitting at an effective critical point of the randomly initialized model. The phase transition is controlled by the weight variance $g^2$ and separates an ordered phase from a chaotic one where information progressively degrades. Here we derive a simple criterion to estimate the critical $g_c$ for a broad class of recurrent architectures and we show that it closely tracks the gain at which a gated-RNN reservoir achieves peak performance on a chaotic forecasting task. Finally, we argue that our criterion can serve as a design principle for future initialization schemes.
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Machine Learning · Cross-listed from cs.CL

A Single-Layer Model Can Do Language Modeling

Modern language models scale depth by stacking layers, each holding its own state - a per-layer KV cache in transformers, a per-layer matrix in Mamba, Gated DeltaNet (GDN), RWKV, and xLSTM. Biological systems lean heavily on recurrence rather than on stacking. We ask how far that shape can go on language modeling. We propose Grounded Prediction Networks (GPN): one state vector revisited at every step through a single recurrent block - one FFN, one shared matrix memory. At 130M parameters, a 1-layer GPN+M reaches FineWeb-Edu perplexity 18.06, within 13% of a 12-layer Transformer++ (16.05) and 18% of a 10-layer GDN (15.34); a 2-layer variant closes the gap to 6%/11%. We do not match the deep baselines. Because the working context is a single vector, we can directly inspect its geometry: a persistent default-token direction, a content-bearing horizon of tens of tokens, and memory heads that split spontaneously into fast and slow retention pools.
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Machine Learning

Composing diffusion priors with explicit physical context via generative Gibbs sampling

Pretrained diffusion models provide powerful learned priors, but in scientific sampling the target distribution often depends on physical context that a single generative model can neither fully represent nor learn from scarce joint-system data. We introduce Generative Gibbs for Physics-Aware Sampling (GG-PA), a training-free framework that composes learned partial priors with explicit physical context through Gibbs sampling. We prove that this sampler is asymptotically exact as the diffusion time vanishes and remains exact at finite diffusion time for quadratic interactions. As a special case, the finite-time result corrects a finite-noise bias in plug-and-play split Gibbs samplers for linear inverse problems at no additional cost. We further introduce replica exchange over diffusion time to accelerate mixing. In experiments, a one-dimensional double-well prior recovers a context-induced distribution shift when coupled to an environment, and copies of such a prior composed on a lattice reproduce the emergent collective behavior of the $\phi^4$ model. In atomistic peptide systems, GG-PA captures a context-induced distribution shift and the spontaneous formation of hydrogen-bonded dimers from two copies of a prior trained only on the monomer.
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