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01.
arXiv (math.PR) 2026-06-16

Well-posedness of stochastic parabolic equations with gradient nonlinearities and applications to phase-field models

作者:

arXiv:2606.15425v1 Announce Type: new Abstract: We study well-posedness of stochastic parabolic equations with gradient nonlinearities. Our analysis is based on recent maximal-regularity frameworks for nonlinear stochastic parabolic equations in critical spaces. We extend the existing results by controlling drift and noise coefficient separately. This way we can allow for less regular driving noise in case of subcritical dispersion coefficients. Our approach, based on gluings of local solutions, moreover implies new continuation criteria. We then apply our existence result and the continuation criteria to show global well-posedness of phase-field models of moving boundary problems.

02.
arXiv (CS.AI) 2026-06-11

A Physics-Inspired Optimizer: Velocity Regularized Adam

arXiv:2505.13196v3 Announce Type: replace-cross Abstract: We introduce Velocity-Regularized Adam (VRAdam), a physics-inspired optimizer for training deep neural networks that draws on ideas from quartic terms for kinetic energy with its stabilizing effects on various system dynamics. Previous algorithms, including the ubiquitous Adam, operate at the so-called adaptive edge of stability regime during training, leading to rapid oscillations and slowed convergence of loss. However, VRAdam adds a higher order penalty on the learning rate based on the velocity such that the algorithm automatically slows down whenever weight updates become large. In practice, we observe that the effective dynamic learning rate shrinks in high-velocity regimes, and damping oscillations. By combining this velocity-based regularizer for global damping with per-parameter scaling of Adam, we create a powerful hybrid optimizer. For this optimizer, we provide rigorous theoretical analysis of operation at the edge of stability from a physical and control perspective for the momentum. Furthermore, we derive convergence bounds with the rate $\mathcal{O}(\ln(N)/\sqrt{N})$ for a stochastic non convex objective under mild assumptions. We demonstrate that VRAdam exceeds the performance against standard optimizers including AdamW. We benchmark various tasks such as image classification, language modeling, and generative modeling using diverse architectures and training methodologies including Convolutional Neural Networks (CNNs), Transformers, and GFlowNets.

03.
arXiv (CS.CL) 2026-06-11

When is Your LLM Steerable?

Activation steering offers a lightweight approach to control language models' behavior at inference time, but whether it succeeds or fails heavily depends on the prompt, concept, model, and steering configuration. Finding the regime and boundaries of successful steering typically requires expensive grid searches and post-hoc evaluation of full autoregressive rollouts. In this work, we investigate whether steerability can be predicted from the model's internal states at the beginning of the generation process, e.g., after generating the first few tokens, and how to leverage such a predictor to improve steering success rate. To this end, we first introduce ASTEER, a testbed including 1.4M steered generations, spanning 150 concepts with each steering success/failure labeled. Leveraging this testbed, we analyze the model's early decoding dynamics by extracting features that compare hidden states before and after steering across layers and initial decoding steps. These features help us understand how steering's effects propagate along layers and token positions, which provide key information for steerability prediction. We then train a Gradient Boosting Decision Trees (GBDT) classifier on these features to predict whether an intervention will under-steer, succeed, or over-steer without requiring full rollout. Our predictor achieves around 0.7 macro-F1 score on unseen concepts, demonstrating that early hidden states encode substantial, structured information about eventual steering efficacy. We further leverage this steerability predictor as guidance for steering strength searching, achieving near-optimal performance with a small fraction of decoding cost.

04.
arXiv (math.PR) 2026-06-24

Quantitative Homogenization of PDEs with Neumann boundary conditions: a probabilistic approach

arXiv:2606.24304v1 Announce Type: new Abstract: In this paper, we study quantitative homogenization for viscosity solutions of multi-scale semilinear second order partial differential equations (PDEs) on convex domains with Neumann boundary conditions. To this aim we use the probabilistic approach by studying the quantitative homogenization of backward stochastic differential equations (SDEs) associated with slow-fast systems of reflected SDEs.

05.
arXiv (CS.CV) 2026-06-16

Decoupled Object-Centric Video Understanding for Generating Robotic Manipulation Commands

Translating video demonstrations into executable robot commands remains challenging because existing methods often fail to identify which objects are functionally involved in the demonstrated action. As a result, they may generate commands that are linguistically plausible but operationally ambiguous. We propose an object-centric video understanding framework that decouples action recognition from object identification to generate precise, grammar-free manipulation commands. Our approach integrates Temporal Shift Modules (TSM) for efficient spatio-temporal action classification with a novel Object Selection algorithm that identifies task-relevant objects through trajectory-based role classification, blur detection, and overlap minimization. The selected objects are then processed by Vision-Language Models (VLMs) for robust category recognition and zero-shot generalization. Evaluated on a modified Something-Something V2 dataset, our method achieves 86.79\% action classification accuracy and BLEU-4 scores of 0.337 on standard objects and 0.261 on novel objects. These results improve over the strongest task-specific baseline by 80.2\% and 143.9\%, respectively. Larger gains are observed in METEOR and CIDEr, reaching 157.9\% and 171.7\% on novel objects. Across all semantic metrics, our approach consistently outperforms task-specific methods and remains competitive with, or surpasses, large general-purpose VLMs while retaining a modular, object-centric design.

06.
arXiv (CS.AI) 2026-06-15

FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction

arXiv:2602.22822v3 Announce Type: replace Abstract: Tandem mass spectrometry (MS/MS) is central to small molecule identification, but current deep learning systems for spectrum prediction still remain difficult to evaluate and deploy in practice. While novel architectures constantly claim state-of-the-art performance, inconsistent metadata conditioning and entangled preprocessing pipelines hinder fair architectural comparisons. Besides, existing evaluations are often restricted to curated datasets, failing to capture the heterogeneity and cross-domain shifts of real-world metabolomics. Furthermore, current benchmarks lack difficulty-aware diagnostics and leave blind to how models behave under specific compute or data constraints. To address this, we present FlexMS, a modular public-data benchmark framework that standardizes MS/MS prediction across public resources while keeping molecular encoders, metadata conditioning, predictor heads, and downstream retrieval under one protocol. FlexMS establishes a fair evaluation playground which significantly lowers the barrier for integrating new predictive tools. Rather than solely optimizing for average scores, FlexMS augments aggregate accuracy with difficulty-aware diagnostics, providing actionable guidance on model selection across different compute constraints, data scales, and downstream retrieval objectives. Ultimately, FlexMS provides the community with a reproducible standard to identify which algorithmic conclusions are stable and which operating points are most viable in practice.

07.
medRxiv (Medicine) 2026-06-24

Clinical Evaluation of Automated Self-Operated Transvaginal Ultrasound for Ovarian Stimulation Monitoring

Objective To evaluate the feasibility, safety, patient acceptance, and preliminary clinical relevance of automated self-operated transvaginal ultrasound for ovarian stimulation monitoring. Design Prospective observational pilot study. Subjects Ten women undergoing ovarian stimulation for in vitro fertilization or fertility preservation at a single high-volume private IVF center. Exposure Participants performed investigational self-operated transvaginal ultrasound examinations immediately following standard monitoring visits. Patients inserted and stabilized the ultrasound probe while ovarian and endometrial imaging was acquired through controlled motorized probe rotation without real-time anatomical guidance. Main Outcome Measure(s) The primary outcome was feasibility, defined as the generation of evaluable imaging datasets suitable for ovarian stimulation monitoring. Secondary outcomes included bilateral ovarian visualization, procedural safety, patient-reported outcomes, follicular assessment, and agreement of endometrial thickness measurements with standard transvaginal ultrasound. Result(s) Nineteen investigational scan attempts were performed, yielding 18 evaluable datasets (94.7%). Bilateral ovarian visualization was achieved in 16 of 18 evaluable examinations (88.9%), whereas partial ovarian visualization occurred in 2 examinations (11.1%). No adverse events, adverse device effects, vaginal injury, bleeding, or infection were observed. Patient-reported outcomes demonstrated high procedural acceptability, with all participants expressing willingness to reuse the system. Compared with standard transvaginal ultrasound monitoring, investigational self-operated acquisition significantly improved overall examination experience (Wilcoxon p=0.002). Investigational imaging demonstrated clinically relevant agreement with standard transvaginal ultrasound for follicular categorization and endometrial assessment. Counts of follicles [≥]14 mm correlated strongly with mature oocyte recovery for both investigational and standard ultrasound measurements (Spearman {rho}=0.83 and {rho}=0.80, respectively). Endometrial thickness measurements also demonstrated strong correlation between modalities (Spearman {rho}=0.91). Conclusion(s) This prospective pilot study demonstrates the feasibility of automated self-operated transvaginal ultrasound during ovarian stimulation monitoring. Investigational imaging generated clinically relevant monitoring information without observed safety concerns and was associated with high patient acceptance. These findings support further investigation of patient-operated acquisition strategies and standardized imaging workflows in reproductive medicine.

08.
arXiv (CS.AI) 2026-06-18

A Link between Shock-wave Theory and Symmetry-reduced Stochastic Gradient Descent for Artificial Neural Networks

arXiv:2606.18303v1 Announce Type: cross Abstract: We develop a mathematically explicit link between shock-wave theory and the symmetry-quotiented learning dynamics of stochastic gradient descent, drawing on differential geometry, Lie group theory, and fluid mechanics. Specifically, after quotienting parameter symmetries and applying local-entropy coarse-graining, the effective dynamics satisfy a viscous Hamilton–Jacobi equation on the quotient manifold. Moreover, under the assumption that the raw parameter dynamics can be summarized by a gradient field on the quotiented space, the gradient of the coarse-grained loss function obeys a Burgers-type equation, and shock formation can be established rigorously. We apply our theory to multilayer perceptrons, convolutional neural networks, Transformers, and mean-field networks, and show that they obey the Hamilton–Jacobi or Burgers-type equations. We conjecture that this framework also yields practical diagnostics for deep learning. In architectures such as Transformers, raw parameter norms are often distorted by symmetry redundancy and may therefore be misleading, whereas symmetry-corrected quotient observables provide a principled basis for monitoring, forecasting, and controlling training-phase transitions.

09.
arXiv (CS.CV) 2026-06-12

Heterogeneous LiDAR Early Fusion and Learned Re-Ranking Strategy for Robust Long-Term Place Recognition in Unstructured Environments

Robust localization in unstructured environments, such as agricultural fields, is a critical challenge for autonomous systems. LiDAR sensors provide detailed 3D information about the environment and are invariant to lighting conditions. For this reason, LiDAR-based place recognition methods have gained significant attention. In this paper, we propose MinkUNeXt-VINE++, a novel approach that combines early fusion of heterogeneous LiDAR data from two sensors (Livox Mid-360 and Velodyne VLP-16) and a learned re-ranking strategy in inference time. This fusion leverages the strengths of each sensor to provide a more comprehensive representation of the environment. Additionally, the re-ranking approach is particularly important in repetitive environments, such as vineyards, as finding true positives is a major challenge. We evaluated our approach using the TEMPO-VINE dataset, which provides heterogeneous LiDAR data in vineyard environments across different phenological stages. Our results demonstrate that MinkUNeXt-VINE++ significantly improves place recognition performance compared to single-sensor approaches and state-of-the-art methods. MinkUNeXt-VINE++ achieves a 20% improvement in the Recall@1 metric compared to single-sensor approaches, and +30% including re-ranking. The code of our method is publicly available for reproduction.

10.
arXiv (CS.LG) 2026-06-17

Uncertainty Quantification for Flow-Based Vision-Language-Action Models

arXiv:2606.18043v1 Announce Type: cross Abstract: Vision-language-action models (VLAs) combine vision-language backbones with expressive generative action heads trained via flow matching on large-scale robotic datasets. Despite their strong empirical performance in robotic manipulation, VLAs lack mechanisms to quantify confidence in their predictions and to detect when their actions may be unreliable. This presents a critical limitation for real-world deployment in non-stationary environments, where models inevitably encounter scenarios outside their pretraining distribution and may fail without warning. To address this, we derive an efficient method for quantifying epistemic uncertainty in flow-matching models by leveraging velocity-field disagreement (VFD) across a small ensemble. We successfully use this uncertainty estimate for failure detection during deployment and active fine-tuning of flow-based VLAs. To this end, we propose SAVE, a framework for uncertainty-guided active multitask fine-tuning that reduces the number of costly expert demonstrations required to adapt VLAs to new tasks. Through extensive experiments on the LIBERO benchmark, we demonstrate that VFD yields better-calibrated uncertainty estimates predictive of downstream performance, that VFD achieves strong performance in detecting failures, and that uncertainty-guided data acquisition with SAVE requires at least 22% fewer samples than baselines. In summary, our work shows that quantifying epistemic uncertainty in flow-based VLAs improves both failure awareness and adaptation. Project website: tum-lsy.github.io/uq_vla/.

12.
arXiv (CS.LG) 2026-06-19

FlexLAM: Resolving the Bottleneck Trade-off in Latent Action Learning

arXiv:2606.19408v1 Announce Type: new Abstract: Latent actions provide a compact interface between action-free video and downstream decision-making, yet existing Latent Action Models (LAMs) force every transition through a fixed-capacity bottleneck. We identify a bottleneck trade-off: overly tight codes can discard transition cues needed for action alignment, while overly loose codes preserve additional transition variation that must be resolved when alignment labels are scarce or narrowly distributed. FlexLAM replaces this fixed capacity with variable-length latent actions trained by nested dropout, yielding prefix-valid codes that capture compact transition structure first and add detail only when needed, without new architectures or losses. A single FlexLAM matches or surpasses separately trained fixed-capacity LAMs at every evaluated token budget under standard scarce-label supervision and under a low-return single-task alignment stress test, indicating that FlexLAM is not merely adjustable at inference time but learns a better latent-action interface at the same token budgets. The same model supports inference-time token-budget adjustment without retraining, and FlexLAM improves Ego4D transition reconstruction. These results suggest that variable-length latent actions are an architecture-free, drop-in upgrade to the fixed-capacity bottleneck in latent action models, latent-action world models, and video-pretrained action interfaces.

13.
arXiv (math.PR) 2026-06-17

Persistence diagrams of random triangular matrices over finite fields

arXiv:2606.17895v1 Announce Type: cross Abstract: Let us consider a random infinite lower triangular matrix, where the entries on and below the diagonal are i.i.d. uniform random elements of a fixed finite field. We investigate the evolution of the span of the first $n$ rows of this matrix as $n$ grows. Many properties of this evolving subspace can be captured with the help of the verbose persistence diagram, which is a standard tool in stochastic topology and topological data analysis. We give an explicit formula for the distribution of the persistence diagram. We prove a law of large numbers for the distribution of lifetimes. We also describe the fluctuations of the persistent Betti numbers.

14.
arXiv (CS.CV) 2026-06-16

DPC-VQA: Decoupling Quality Perception and Residual Calibration for Video Quality Assessment

Recent multimodal large language models (MLLMs) have shown promising performance on video quality assessment (VQA) tasks. However, adapting them to new scenarios remains expensive due to large-scale retraining and costly mean opinion score (MOS) annotations. In this paper, we argue that a pretrained MLLM already provides a useful perceptual prior for VQA, and that the main challenge is to efficiently calibrate this prior to the target MOS space. Based on this insight, we propose DPC-VQA, a decoupling perception and calibration framework for video quality assessment. Specifically, DPC-VQA uses a frozen MLLM to provide a base quality estimate and perceptual prior, and employs a lightweight calibration branch to predict a residual correction for target-scenario adaptation. This design avoids costly end-to-end retraining while maintaining reliable performance with lower training and data costs. Extensive experiments on both user-generated content (UGC) and AI-generated content (AIGC) benchmarks show that DPC-VQA achieves competitive performance against representative baselines, while using less than 2% of the trainable parameters of conventional MLLM-based VQA methods and remaining effective with only 20% of MOS labels. The code will be released upon publication.

15.
arXiv (CS.AI) 2026-06-11

Lung-R1: A Knowledge Graph-Guided LLM for Pulmonary Diagnostic Reasoning

arXiv:2606.11675v1 Announce Type: new Abstract: Diagnosing pulmonary diseases requires integrating heterogeneous evidence amid phenotypic variability and cross-disease overlap. Although large language models (LLMs) have shown progress on pulmonary knowledge question answering (QA) and information-processing tasks, reliable pulmonary diagnosis requires patient-specific, relation-aware reasoning over electronic medical record (EMR) evidence rather than isolated knowledge recall. We define this gap between pulmonary knowledge and case-level diagnostic reasoning as the Pulmonary Knowledge-to-Diagnosis Gap. To address it, we introduce LungKG, the first structured pulmonary knowledge graph for diagnostic knowledge organization and record-grounded reasoning. LungKG contains 59,038 nodes and 164,308 edges across 15 entity types and 112 relation types, serving as both a reusable pulmonary knowledge resource and the foundation for LungKG-guided model adaptation. Built on LungKG, we propose Lung-R1, a LungKG-guided pulmonary LLM trained through KG-constrained reasoning-chain construction and KG-guided reinforcement learning. In a 20-system evaluation, Lung-R1-14B achieves state-of-the-art performance across Choice, Pulmonary-QA, and EMR Diagnosis, reaching an EMR Diagnosis score of 4.3583 and surpassing the strongest non-Lung-R1 baseline by 0.1476 points. These results demonstrate the value of LungKG-guided training for EMR-based pulmonary diagnosis.

16.
arXiv (CS.AI) 2026-06-24

Breaking Shortcut Learning for Cross-Trial EEG-Guided Target Speech Extraction via Two-Stage Training

arXiv:2606.24164v1 Announce Type: cross Abstract: Recent end-to-end models for EEG-guided target speech extraction report impressive results, underscoring potential for neuro-steered hearing technologies. However, our analysis reveals that high within-trial performance can be driven by trial-specific EEG structure that acts as shortcuts for target selection, leading to poor generalization on unseen trials. To overcome this gap, we propose TRUST-TSE, a two-stage framework to mitigate shortcut learning. By introducing contrastive pretraining with attended-speaker negative sampling, we encourage the EEG encoder to capture fine-grained EEG–speech alignment while suppressing trial-identity cues. We also employ a confidence-weighted extraction objective based on EEG–source similarity to guide extraction using the learned representations. Experiments on KUL and DTU datasets show that TRUST-TSE outperforms end-to-end baselines under strict cross-trial protocols, addressing a key reliability bottleneck of existing approaches.

17.
arXiv (CS.LG) 2026-06-12

Aerial Wildfire Suppression Planning with a Hybrid CNN-Cellular Automata Fire Model

arXiv:2606.13633v1 Announce Type: cross Abstract: Aerial wildfire suppression requires not only predicting fire spread, but also designing effective intervention strategies under operational and environmental uncertainty. We present a modeling and optimization framework for aerial wildfire suppression that combines a hybrid neural-cellular automaton wildfire model with gradient-based design of targeted aerial drops. The wildfire model predicts spatially varying spread behavior from terrain, fuel, and wind data, while the intervention module determines binary drop actions with continuous-valued location and orientation parameters mapped to the simulation grid. Water and retardant are represented with distinct suppression effects, corresponding to immediate reduction of active burning and persistent reduction of future spread. To evaluate the robustness of the resulting suppression plans, we quantify both aleatoric uncertainty through Monte Carlo sampling of daily fire-state realizations and epistemic uncertainty through spatially correlated prediction-error perturbations. A case study based on the 2020 Bear Fire shows that the framework can generate coherent aerial suppression schedules for reducing total fire-affected area and can support uncertainty-aware analysis of wildfire intervention strategies.

18.
bioRxiv (Bioinfo) 2026-06-23

Model-based inference of gene expression noise from single-cell RNA-sequencing data

The heterogeneity of expression levels among genetically identical cells, termed gene expression noise, is a property of the gene expression process whose importance in the biology of organisms and their evolution is increasingly recognized. Measuring gene expression noise requires single-cell expression data, as obtained from single-cell RNA sequencing (scRNASeq). Its estimation, however, is challenging owing to (i) the presence of technical noise in addition to biological noise, and (ii) the heterogeneity of cell types in the sampled population. We propose a maximum-likelihood framework to infer biological noise from scRNASeq data, while accounting for technical noise, dropout probabilities, and distinct cell sequencing depths. We demonstrate the parameter identifiability using simulations and that the resulting noise estimates are uncorrelated from the mean gene expression, and therefore do not need extra correction in downstream analyses, easing intra- and inter- genome comparisons. Using two technical replicates of scRNASeq data from the wild yeast *Saccharomyces paradoxus*, we show that expression noise can be inferred in a reproducible manner.

19.
arXiv (CS.AI) 2026-06-16

FreeSonic: Training-Free Temporal-Aware Decoupled Attention for Precise Audio Editing

arXiv:2606.15186v1 Announce Type: cross Abstract: Text-to-audio (TTA) generation has made significant strides, yet achieving precise and consistent audio editing remains a major challenge. However, existing methods struggle to balance temporal consistency with background preservation. In this paper, we propose FreeSonic, a training-free framework leveraging the state-of-the-art Rectified Flow-based TangoFlux model. FreeSonic utilizes an optimized inversion-reverse process and joint text-audio attention maps for precise target segment extraction. For content editing, a novel scheduled attention decoupling confines modifications to target regions while preserving original acoustic context. Furthermore, task-oriented noise injection enhances versatility for tasks such as audio removal and non-rigid replacement. Extensive experimental results demonstrate that FreeSonic achieves a superior balance by providing a high-fidelity and efficient solution for precise and consistent audio editing. Project and demos: https://free-sonic.github.io/

20.
arXiv (CS.AI) 2026-06-17

SEAGym: An Evaluation Environment for Self-Evolving LLM Agents

arXiv:2606.17546v1 Announce Type: new Abstract: Self-evolving LLM-based agents improve mainly by changing their agent harness: the structured execution layer around a base model, including prompts, memory, tools, middleware, runtime state, and the model-tool interaction loop. Existing evaluations often reduce this process to isolated task scores or a single sequential curve, obscuring whether an update produces reusable improvement, overfits recent tasks, increases cost, or harms older behavior. We introduce SEAGym, an evaluation environment for measuring agent harness updates across training, validation, test, replay, and cost records. SEAGym turns Harbor-compatible benchmarks into dynamic self-evolution task sources with train batches, frozen update-validation, held-out ID and OOD transfer views, replay diagnostics, and saved snapshot and metric records. Instantiating SEAGym on Terminal-Bench 2.0 and HLE, we compare ACE, TF-GRPO, and AHE under a shared epoch/batch protocol. The results show that these evaluation views provide complementary signals about the evolution process: frequent updates may fail to improve held-out performance, useful intermediate snapshots may collapse later, and source diversity and model backend can affect harness reliability.

21.
arXiv (CS.AI) 2026-06-24

MGI: Member vs Generated Inference

arXiv:2606.23872v1 Announce Type: cross Abstract: As generative models increasingly produce samples that are indistinguishable from human-created content, it becomes difficult to determine whether a given data point was part of a model's natural training set or was generated by the model itself, especially when models memorize and reproduce training data. We formalize this challenge as Member vs Generated Inference (MGI): given a sample and a target generative model, infer whether the sample is a true training member or a generated output of that model. Focusing on image generation, we show that existing membership inference methods systematically misclassify generated samples as training members, while attribution-based methods often misclassify true members as generated. This failure arises because both approaches rely on likelihood-related signals that are similarly elevated for training examples and for the model's own outputs. To address MGI, we propose Data Circuit Breaker (DCB), a three-stage method that combines complementary signals from a generative model's autoencoder and latent generator to distinguish training members from generated samples. Across multiple generative models, including image autoregressive and diffusion models, DCB consistently addresses the shortcomings of membership inference and attribution methods, remains effective even when models reproduce near-duplicates of training samples, and generalizes to challenging model derivative settings in which new models are trained on generated data.

22.
arXiv (CS.AI) 2026-06-17

LLM-Aided Joint Secrecy Precoding and Trajectory for RSMA-Based Heterogeneous UAV Networks

arXiv:2507.17188v3 Announce Type: replace-cross Abstract: This paper investigates secure communications in rate-splitting multiple access (RSMA) enabled heterogeneous UAV networks, where multiple UAVs collaboratively serve ground terminals in the presence of eavesdroppers. By jointly considering secrecy rate maximization and propulsion energy consumption minimization, we formulate a multi-objective optimization problem involving UAV trajectory design, service association, power allocation, and secrecy precoding under mobility, collision-avoidance, service-capacity, and communication constraints. The formulated problem is highly non-convex due to the coupling among UAV trajectories, RSMA transmission variables, and secrecy constraints.To address the resulting non-convex and highly coupled optimization problem, we propose a hierarchical optimization framework. The inner layer uses a semidefinite relaxation (SDR)-based S2DC algorithm combining penalty functions and difference-of-convex (D.C.) programming to solve the secrecy precoding problem with fixed UAV positions. The outer layer introduces a Large Language Model (LLM)-guided heuristic multi-agent reinforcement learning approach (LLM-HeMARL) for trajectory optimization. LLM-HeMARL efficiently incorporates LLM-generated expert heuristic policy, enabling UAVs to learn energy-aware, security-driven trajectories without the inference overhead of real-time LLM calls. The simulation results show that our method outperforms existing baselines in secrecy rate and energy efficiency, with consistent robustness across varying UAV swarm sizes and random seeds.

23.
arXiv (quant-ph) 2026-06-12

A refined thermodynamic analysis of nonsecular master equations

arXiv:2606.13504v1 Announce Type: new Abstract: We present a systematic thermodynamic analysis of nonsecular master equations. We consider master equations resulting either from the partial secular and the geometric-arithmetic approximations, two approximations ensuring the positivity of the system's dynamics when some of its transition frequencies are too small to enable the full secular approximation. Both cause the system to relax towards a steady state which is not the Gibbs state of its bare Hamiltonian. Nonetheless, we build a unified, consistent thermodynamic framework for those dynamics. Starting from a microscopic expression of the second law based on system-environment correlations, we employ a systematic perturbation theory to preserve the positivity of the second law despite the approximations done on the dynamics. We show that, in spite of the weak system-bath coupling, the system-bath interaction energy participates to the energy balance, as well as the Lamb-shift. Those extra contributions give rise to work performed by the system on the bath when the former is out of equilibrium. We compare this microscopic entropy production with the definition based on the contractivity of the reduced system dynamics (Spohn inequality). We show that, unlike for secular master equations, the two entropy production rates differ because of the presence of non-vanishing stationary coherences in the energy eigenbasis. However, in the case of a single thermal bath, the difference is purely transient, and no work can be cyclically extracted from the steady-state despite its non-Gibbs form. Finally, we illustrate our results with a simple example, clarifying and completing the thermodynamic picture of Markovian dynamics in the quantum regime.

24.
arXiv (CS.CV) 2026-06-18

Low-Rank Tensor Completion Based on Fractional Regularization with Ky Fan p-k Norm

This paper addresses low-rank tensor completion (LRTC) by proposing a novel nonconvex surrogate, namely the ratio of the tensor nuclear norm to the tensor Ky Fan p-k norm (TNPK), to accurately approximate the tensor tubal rank. The TNPK possesses appealing properties, including scale invariance, parameter flexibility, and the existence of closed-form solutions under specific choices of p and k. With specific parameter settings of p and k, it reduces to the ratio of the tensor nuclear norm to the tensor Ky Fan k norm (TNK) or the ratio of the tensor nuclear norm to the tensor Frobenius norm (TNF). We construct a LRTC model and, under the tensor null space property (NSP), prove that low-rank tensors are local minimizers of the proposed model. Moreover, we derive the proximal operator of the Ky Fan p-k inverse-norm and further develop an efficient alternating direction method of multipliers (ADMM) algorithm with guaranteed subsequential convergence under mild conditions. Extensive experiments on synthetic and real-world datasets validate the superior performance of our method against state-of-the-art competitors.

25.
bioRxiv (Bioinfo) 2026-06-11

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.