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01.
arXiv (quant-ph) 2026-06-24

Chemical tuning of magnetic ordering and cryogenic magnetocaloric response in zircon-type Gd1-xErxVO4

作者:
Ming Zeng↗Muqing Su↗Liang Ming↗Xiaolong Yang↗Wang Chen↗Lingwei Li↗Hai-Feng Li↗

arXiv:2606.08916v2 Announce Type: replace-cross Abstract: Chemical substitution offers an effective route to tune magnetic ordering and magnetocaloric performance in rare-earth oxides for cryogenic refrigeration. Here we investigate the structural evo lution, magnetic properties, and magnetocaloric effect of polycrystalline zircon-type Gd1-xErxVO4 (x=0, 0.1, 0.25, 0.5, and 0.75). Powder X-ray diffraction confirms that all samples crystallize in the tetragonal zircon structure without detectable impurity phases. Substitution of Gd3+ by the smaller Er3+ ion produces a systematic lattice contraction and modifies the magnetic behavior of the rare-earth sublattice. In particular, the magnetic ordering temperature is suppressed from 3.65(2) K in GdVO4 to 2.76(2) K in Gd0.9Er0.1VO4 , accompanied by a weakening of the spin-flop-like field-induced anomaly observed in the parent compound. A low Er concentration correspondingly improves the low-temperature magnetocaloric performance, with Gd0.9Er0.1VO4 exhibiting a max imum magnetic entropy change of 45.1 J kg-1 K-1 for mu_0 Delta H=7T. These results demonstrate that weak Er substitution effectively tunes the competition among exchange interactions, dipolar coupling, and magnetic anisotropy, optimizing the balance between magnetic ordering and available spin entropy in zircon-type rare-earth vanadates, which is crucial for developing efficient cryogenic refrigeration materials.

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02.
arXiv (CS.CV) 2026-06-24

Are Text-to-Image Models Inductivist Turkeys? A Counterfactual Benchmark for Causal Reasoning

作者:
Jiayi Lei↗Yuandong Pu↗Xingyu Han↗Rongpeng Zhu↗Jing Xu↗Jinyao Wang↗Zijian Zhou↗Bin Fu↗Yuewen Cao↗Yihao Liu↗Yongsheng Li↗

Text-to-image (T2I) generation models have achieved remarkable progress in producing visually realistic images from natural language prompts. Yet it remains unclear whether their success reflects genuine causal understanding or sophisticated pattern matching over visual-textual correlations. Inspired by Russell's inductivist turkey, we introduce Counterfactual-World (CF-World), a counterfactual benchmark designed to investigate whether text-to-image models can generate images under rules that systematically contradict real-world priors. CF-World organizes each scenario into three progressive levels: factual generation under ordinary world knowledge, explicit counterfactual generation with direct visual instructions, and implicit counterfactual generation requiring causal deduction from altered rules. We evaluate both open-source and closed-source T2I models using a Vision Language Model (VLM)-based evaluator (CF-Eval). Furthermore, we introduce two metrics: Prior Resistance Rate (PRR), which measures a model's ability to overcome entrenched real-world priors, and Reasoning Retention Rate (RRR), which assesses whether models can maintain reasoning-dependent counterfactual generation without explicit visual cues. Experiments show that all models exhibit sharp degradation from factual to counterfactual settings. Further analyses suggest that these failures arise because current T2I models encode world knowledge and visual appearances as tightly coupled patterns. Consequently, their heavy reliance on frequent visual co-occurrences within the training data forces them to default to familiar commonsense priors when tasked with rendering counterfactual worlds.

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03.
arXiv (CS.CV) 2026-06-18

Would you still call this Dax? Novel Visual References in VLMs and Humans

作者:
Ada Defne T\"ur↗Gaurav Kamath↗Joyce Chai↗Siva Reddy↗Benno Krojer↗

Vision-language models (VLMs), like human learners, are frequently exposed to new visual concepts, but how they map novel visual references to language after exposure remains largely underexplored, particularly when those references contradict prior knowledge from pre-training. To study this, we present the Novel Visual References Dataset (NVRD): 19,176 images spanning 90 visual concepts across different levels of visual novelty, each with up to 20 increasingly perturbed versions of the original object to probe generalization. Unlike prior work on visual augmentations of familiar concepts, NVRD comprises entirely novel, open-ended stimuli constructed from scratch, mirroring how humans encounter genuinely new concepts. We evaluate 3 open- and 2 closed-source models alongside 2,400 human judgments for direct human-model comparison, and find that (i) models struggle to acquire novel concepts in-context when they contradict prior knowledge, and (ii) while models and humans show correlated sensitivity to visual perturbations, models significantly overgeneralize, extending learned labels to stimuli that humans reject. We contribute NVRD as a corpus and benchmark for research on visual concept learning in both humans and machines.

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04.
arXiv (CS.CV) 2026-06-16

Classifying by Proxy: Explainable and Reproducible Ensemble of Proxy Tasks for Child Sexual Abuse Imagery Classification

作者:
Clara Ernesto↗Carlos Caetano↗Sandra Avila↗Jo\~ao Macedo↗Camila Laranjeira↗Leo S. F. Ribeiro↗

Child Sexual Abuse Imagery (CSAI) classification systems are needed solutions for lessening the psychological impacts often felt by law enforcement agents responsible for evaluating these materials and for efficient removal of these materials from the web. However, due to the nature of the task, researching and developing such systems is not a trivial endeavor. The images are highly sensitive, and the related datasets are under restrictive access regimes, which means most studies in the area are not reproducible or distributable and are therefore hard to compare and validate. More concerning still, most models for this task today lack an aspect often desired by law enforcement agents: explainability. In this paper, we apply an ensemble of Proxy Tasks – tasks that correlate to CSAI classification – yielding improvements in reproducibility, explainability, and security for distribution. This concept is applied for the first time to real CSAI, with a novel selection of relevant Proxy Tasks (selected from the CSAI literature) and training adaptations to the original framework. Our final model achieves competitive results, yielding 91.9% balanced accuracy on the RCPD dataset with the best Proxy Task combination. We furthermore contrast these results with the best-in-class representation learning model, DINO, and show that our ensemble improves accuracy and provides explanations for its classification results, a feature that a single deep learning model can seldom provide.

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05.
arXiv (CS.CV) 2026-06-17

A Quantitative Analysis of Multimodal Biomarkers in Alzheimer's Disease

作者:
Antonio Scardace↗Daniele Rav\`i↗

Despite increasing adoption of multimodal approaches in Alzheimer's Disease (AD) research – aimed at integrating molecular, structural, clinical, and genetic biomarkers to enhance disease characterization – the relationships among these modalities remain poorly understood. A systematic analysis of their dynamic interaction is essential for improving disease modeling, identifying redundant assessments, and reducing patient burden and acquisition costs. In this paper, we present a quantitative analysis of multimodal AD biomarkers by integrating tau-PET, structural MRI, cognitive scores (MMSE and CDR), and APOE4 data from 789 subjects drawn from the ADNI dataset. In our analyses, we (A) quantify cross-modal mutual information and explained variance to assess redundancy and predictive dependencies; (B) examine associations between tau topologies and structural atrophy across brain regions to select informative ROIs; (C) perform a statistical decomposition of the tau-cognition association into atrophy-related and atrophy-independent components; (D) and identify a dominant neurodegenerative trajectory that aligns with cognitive decline. This study provides a systematic characterization of cross-modal relationships, improving the interpretability and selection of biomarkers in AD. Code is publicly available at: https://github.com/antonioscardace/Multimodal-AD.

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06.
arXiv (CS.CL) 2026-06-19

Prompt, Plan, Extract: Zero-Shot Agentic LLMs Workflows for Lung Pathology Extraction from Clinical Narratives

作者:
Aman Pathak↗Cheng Peng↗Mengxian Lyu↗Ziyi Chen↗Reema Solan↗Sankalp Talankar↗Yasir Khan↗Hiren Mehta↗Aokun Chen↗Yi Guo↗Yonghui Wu↗

Information extraction from pathology reports is essential for cancer staging, tumor registry population. Yet key data remains embedded in narrative reports, making manual extraction labor-intensive and error-prone. Traditional supervised Natural Language Processing pipelines address this through fully supervised Named Entity Recognition and Relation Extraction, but require expensive manual annotation and suffer cascading failures when upstream entities are missed. In this study, we developed a zero-shot, agentic workflow, and evaluated five open-source generative Large Language Models (LLMs) to populate 13 College of American Pathologists synoptic fields from lung resection pathology reports. We compared them against a state-of-the-art supervised GatorTron NER-RE baseline using a novel, registry-aligned evaluation framework. The baseline achieved Micro-F1of 0.960, while the best zero-shot model (GPT-OSS-20B) achieved Micro-F1 of 0.893 (recall: 0.949), accurately extracting complex relations like Pathologic Stage without task-specific training. These results suggest that open-source, zero-shot agentic LLMs are a low-cost solution for extracting lung pathology information.

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07.
arXiv (CS.LG) 2026-06-17

VISTA: Scale-Aware Visual Navigation via Action History Conditioning

作者:
Maeva Guerrier↗Koki Kobayashi↗Simon Roy↗Jana Pavlasek↗Giovanni Beltrame↗

arXiv:2606.17294v1 Announce Type: cross Abstract: Vision Navigation Foundation Models (VNMs) promise end-to-end learned navigation policies capable of zero-shot deployment across diverse embodiments and environments. To maintain generality, many vision-based navigation models predict normalized actions. However, this normalization introduces a critical deployment vulnerability: applying different scaling factors to the same normalized trajectory alters its physical geometry, which degrades navigation performance and increases collision risks. We address this vulnerability by conditioning the model on normalized action histories alongside image observations, providing explicit context on the relationship between the model's predictions and the robot's actual physical displacement. Furthermore, current VNMs often struggle in visually repetitive environments that lack distinct features. To resolve this issue, we integrate a DINOv3 encoder, whose richer representations enable our model to capture both spatial and geometric dimensions between observations. VISTA generalizes robustly to out-of-distribution environments, achieving 100% goal prediction accuracy in zero-shot, real-world deployment in Outdoor, Forest and Office settings, and an average of 95% checkpoints crossed, demonstrating consistent path following in unseen environments.

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08.
arXiv (CS.CL) 2026-06-15

Is ChatGPT Fair for Recommendation? Evaluating Fairness in Large Language Model Recommendation

作者:
Jizhi Zhang↗Keqin Bao↗Yang Zhang↗Wenjie Wang↗Fuli Feng↗Xiangnan He↗

The remarkable achievements of Large Language Models (LLMs) have led to the emergence of a novel recommendation paradigm – Recommendation via LLM (RecLLM). Nevertheless, it is important to note that LLMs may contain social prejudices, and therefore, the fairness of recommendations made by RecLLM requires further investigation. To avoid the potential risks of RecLLM, it is imperative to evaluate the fairness of RecLLM with respect to various sensitive attributes on the user side. Due to the differences between the RecLLM paradigm and the traditional recommendation paradigm, it is problematic to directly use the fairness benchmark of traditional recommendation. To address the dilemma, we propose a novel benchmark called Fairness of Recommendation via LLM (FaiRLLM). This benchmark comprises carefully crafted metrics and a dataset that accounts for eight sensitive attributes1 in two recommendation scenarios: music and movies. By utilizing our FaiRLLM benchmark, we conducted an evaluation of ChatGPT and discovered that it still exhibits unfairness to some sensitive attributes when generating recommendations. Our code and dataset can be found at https://github.com/jizhi-zhang/FaiRLLM.

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09.
arXiv (quant-ph) 2026-06-11

Entanglement generation between field modes mediated by a fluctuating conducting wall

作者:
Luca Giovanni Cammarata↗Tommaso Fazio↗Roberto Passante↗Lucia Rizzuto↗

arXiv:2606.12338v1 Announce Type: cross Abstract: We consider a movable conducting plate of finite mass, between two fixed ones, whose mechanical degrees of freedom are treated quantum-mechanically and bound to its equilibrium position by a harmonic potential. The movable wall is thus subjected to quantum fluctuations of its position. This creates a system of two sub-cavities separated by the movable fluctuating plate, and two massless one-dimensional scalar fields, one in each sub-cavity. This system is described by an appropriate generalization of the Law Hamiltonian. The presence of the movable wall yields an effective plate-fields interaction, as well as an effective interaction between the field modes. We obtain, at the second order in perturbation theory, the ground state of the interacting system and the reduced density operator of the fields in each sub-cavity by tracing out the wall's degrees of freedom. We calculate the entanglement between two field modes, one in each cavity, by evaluating analytically the negativity; we then evaluate numerically also the total multimode negativity. Our results show that in both cases the fields in the two sub-cavities are entangled, in contrast to the case in which the wall is fixed in space. We discuss the amount of the field entanglement present as a function of relevant physical parameters of the system such as the mass and oscillation frequency of the movable wall, its distance from the fixed walls and the frequencies of the field modes considered.

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10.
arXiv (CS.CL) 2026-06-18

MORTAR: Multi-turn Metamorphic Testing for LLM-based Dialogue Systems

作者:
Aaron Guoxiang Guo↗Aldeida Aleti↗Neelofar Neelofar↗Chakkrit Tantithamthavorn↗Yuanyuan Qi↗Tsong Yueh Chen↗

With the widespread application of LLM-based dialogue systems in daily life, quality assurance has become more important than ever. Recent research has successfully introduced methods to identify unexpected behaviour in single-turn testing scenarios. However, multi-turn interaction is the common real-world usage of dialogue systems, yet testing methods for such interactions remain underexplored. This is largely due to the oracle problem in multi-turn testing, which continues to pose a significant challenge for dialogue system developers and researchers. In this paper, we propose MORTAR, a metamorphic multi-turn dialogue testing approach, which mitigates the test oracle problem in testing LLM-based dialogue systems. MORTAR formalises the multi-turn testing for dialogue systems, and automates the generation of question-answer dialogue test cases with multiple dialogue-level perturbations and metamorphic relations (MRs). The automated MR matching mechanism allows MORTAR more flexibility and efficiency in metamorphic testing. The proposed approach is fully automated without reliance on LLM judges. In testing six popular LLM-based dialogue systems, MORTAR reaches significantly better effectiveness with over 150\% more bugs revealed per test case when compared to the single-turn metamorphic testing baseline. Regarding the quality of bugs, MORTAR reveals higher-quality bugs in terms of diversity, precision and uniqueness. MORTAR is expected to inspire more multi-turn testing approaches, and assist developers in evaluating the dialogue system performance more comprehensively with constrained test resources and budget.

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11.
arXiv (quant-ph) 2026-06-11

Fundamental Limitations of QAOA on Constrained Problems and a Route to Exponential Enhancement

作者:
Chinonso Onah↗Kristel Michielsen↗

arXiv:2511.17259v4 Announce Type: replace Abstract: We study fundamental limitations of the generic Quantum Approximate Optimization Algorithm (QAOA) on constrained problems where valid solutions form a low dimensional manifold inside the Boolean hypercube, and we present a provable route to exponential improvements via constraint embedding. Focusing on permutation constrained objectives, we show that the standard generic QAOA ansatz, with a transverse field mixer and diagonal r local cost, faces an intrinsic feasibility bottleneck: even after angle optimization, circuits whose depth grows at most sublinearly with n cannot raise the total probability mass on the feasible manifold much above the uniform baseline suppressed by the size of the full Hilber space. Against this envelope we introduce a minimal constraint enhanced kernel (CE QAOA) that operates directly inside a product one hot subspace and mixes with a block local XY Hamiltonian. For permutation constrained problems, we prove an angle robust, depth matched exponential enhancement where the ratio between the feasible mass from CE QAOA and generic QAOA grows exponentially in $n^2$ for all depths up to a linear fraction of n, under a mild polynomial growth condition on the interaction hypergraph. Thanks to the problem algorithm co design in the kernel construction, the techniques and guarantees extend beyond permutations to a broad class of NP-Hard constrained optimization problems.

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12.
arXiv (CS.CV) 2026-06-16

Decoupled Object-Centric Video Understanding for Generating Robotic Manipulation Commands

作者:
Thanh Nguyen Canh↗Thanh-Tuan Tran↗Haolan Zhang↗Ziyan Gao↗Xiem HoangVan↗Nak Young Chong↗

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.

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13.
arXiv (CS.CV) 2026-06-24

Revealing Training Data Exposure in Vision Language Large Models via Parameter Gradients

作者:
Zhihao Zhu↗Hongyi Tang↗Yi Yang↗Ahmed Abbasi↗

Vision-Language Large Models (VLLMs) trained on massive crawled corpora raise pressing copyright and data-provenance concerns. These concerns are particularly acute in healthcare, where patient medical images paired with clinical reports demand rigorous privacy safeguards. However, existing training data detection methods either fail in cross-modal scenarios or rely on superficial output signals with insufficient discriminative power. We introduce GradAudit, a gradient-based auditing framework that examines internal optimization dynamics rather than treating VLLMs as black boxes. Our approach builds on a key observation: model parameters converge to regions where gradients on training samples become stable and well-aligned, whereas gradients on non-training samples remain noisy and inconsistent. By analyzing these gradient signatures, GradAudit achieves strong separability and detects genuine image-text associations learned during training, not merely individual modality membership. Empirically, across both medical and general-domain datasets, GradAudit substantially outperforms state-of-the-art baselines in both pretraining and fine-tuning VLLMs. In a case study employing copyrighted content, we show that existing training data detection methods not only underestimate the extent of unauthorized data usage, but that this underestimation becomes more pronounced as models become more recent and more advanced.

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14.
arXiv (CS.CL) 2026-06-12

MaxProof: Scaling Mathematical Proof with Generative-Verifier RL and Population-Level Test-Time Scaling

作者:
Jiacheng Chen↗Xinyu Zhang↗Shunkai Zhang↗Yanmohan Wang↗Lin Li↗Tiancheng Qin↗Qin Wang↗Zhengmao Zhu↗Tianle Li↗Jingyang Li↗Zehan Li↗Binyang Jiang↗…

We present MaxProof, a population-level test-time scaling framework for competition-level mathematical proof in the MiniMax-M3 series. M3 first trains three proof-oriented capabilities – proof generation, proof verification, and critique-conditioned proof repair – using a defense-in-depth generative verifier engineered for low false-positive rate. These capabilities are merged into a single released M3 model. At test time, MaxProof treats the model as a generator, verifier, refiner, and ranker, searches over a population of candidate proofs, and returns one final proof through tournament selection. With MaxProof test-time scaling, the M3 model reaches 35/42 on IMO 2025 and 36/42 on USAMO 2026, exceeding the human gold-medal threshold on both.

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15.
arXiv (math.PR) 2026-06-15

Limiting partition function for the Mallows model: a conjecture and partial evidence

作者:
Soumik Pal↗

arXiv:2406.18855v2 Announce Type: replace Abstract: Let $S_n$ denote the set of permutations of $n$ labels. We consider a class of Gibbs probability models on $S_n$ that is a subfamily of the so-called Mallows model of random permutations. The Gibbs energy is given by a class of right invariant divergences on $S_n$ that includes common choices such as the Spearman foot rule and the Spearman rank correlation. Mukherjee in 2016 computed the limit of the (scaled) log partition function (i.e. normalizing factor) of such models as $n\rightarrow \infty$. Our objective is to compute the exact limit, as $n\rightarrow \infty$, without the log. We conjecture that this limit is given by the Fredholm determinant of an integral operator related to the so-called Schrödinger bridge probability distributions from optimal transport theory. We provide partial evidence for this conjecture, although the argument lacks a final error bound that is needed for it to become a complete proof.

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

A Tail-Respecting Splitting Numerical Scheme for Lévy-Driven SDEs With Superlinear Drifts

作者:
Olga Aryasova↗Oleksii Kulyk↗Ilya Pavlyukevich↗

arXiv:2504.07255v3 Announce Type: replace Abstract: We present an explicit numerical approximation scheme, denoted by $\{X^n\}$, for the effective simulation of solutions $X$ to a multivariate stochastic differential equation (SDE) with a superlinearly growing $\kappa$-dissipative drift, where $\kappa>1$, driven by a multiplicative heavy-tailed Lévy process that has a finite $p$-th moment, with $p>0$. We show that the strong $L^{p_X}$-convergence $\sup_{t\in[0,T]}\mathbf E \|X^n_t-X_t\|^{p_X}=\mathcal O (h_n^{\gamma})$ holds for any $p_X\in (0,p+\kappa-1)$, which is exactly the range where the $p_X$-moment of the solution is known to be finite. Additionally, for any $p_X\in (0,p)$ we establish strong uniform convergence: $\mathbf E\sup_{t\in[0,T]} \|X^n_t-X_t\|^{p_X}=\mathcal{O} ( h_n^{\delta} )$. In both cases we determine the convergence rates $\gamma$ and $\delta$. In the special case of SDEs driven solely by a Brownian motion, our numerical scheme preserves super-exponential moments of the solution. The scheme $\{X^n\}$ is realized as a combination of a well-known Euler method with a Lie-Trotter type splitting technique.

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17.
medRxiv (Medicine) 2026-06-23

Respiratory support with Continuous Positive Airway Pressure in preterm neonates: an analysis of coverage and quality of care in 66 neonatal units in Kenya, Malawi, Nigeria and Tanzania implementing with the NEST360 Alliance

作者:
Shemwell↗Wainaina↗Lawn↗J. E↗Salim↗Penzias↗R. E↗Malla↗Johari↗Tillya↗Bohne↗C. A↗…

Background: Prematurity is the leading cause of child deaths worldwide, with the highest neonatal mortality in sub Saharan Africa. Respiratory distress syndrome (RDS) is the leading mortality pathway in preterm neonates, but continuous positive airway pressure (CPAP) has high impact. This analysis reports CPAP coverage and quality of care for preterm neonates admitted to 66 neonatal units in Kenya, Malawi, Nigeria and Tanzania. Methods: Analyses used individually linked neonatal inpatient data and cross-sectional health systems data. All admitted neonates were eligible for inclusion (January 2021 through December 2024). Service readiness for CPAP delivery and mean CPAP coverage were described for CPAP eligible newborns (weighing 1500g). Quality of care cascades were constructed to illustrate key indicators. Survival among CPAP eligible neonates was analysed using regression models, stratified by clinical severity scores. Results: 375,255 newborn admissions were analysed in 66 neonatal units. Functional CPAP availability varied with median 16% of days (IQR: 4 to 47%) classified as high demand (>1.5 eligible newborns per CPAP). Of 64,761 CPAP eligible neonates, 22,006 (34%, 95% CI 33 to 34%) received CPAP. All countries showed improvement in CPAP coverage, with Tanzanian hospitals recording 63% increase in mean coverage (p-value=0.001) over time. Quality of care cascades showed treatment was initiated 1 day for 42% (95% CI 41 to 43%) of eligible neonates receiving CPAP. Only 10% of neonates

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18.
arXiv (quant-ph) 2026-06-24

Teleportation-based quantum state tomography

作者:
Gustavo Rigolin↗

arXiv:2511.18621v2 Announce Type: replace Abstract: We explicitly show that the quantum teleportation protocol can be employed to completely reconstruct arbitrary two- and three-qubit density matrices. We also extend the present analysis to n-qubit density matrices. The only quantum resources needed to implement the teleportation-based quantum state tomography protocol are the ability to make Bell measurements and the ability to prepare a few different single qubit states to be teleported from Alice to Bob.

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19.
bioRxiv (Bioinfo) 2026-06-12

ProMiSE: Protein Multi-State Evaluation Benchmark in Biological Contexts

作者:
Ku↗Kim↗Park↗Seok↗

Proteins are inherently dynamic, with biological functions often emerging from transitions between multiple conformational states. While recent breakthroughs have largely addressed the static structure prediction problem, no systematic benchmark exists to demonstrate how well current models capture functionally relevant dynamics. We introduce ProMiSE, the first benchmark that provides both a dataset and an evaluation scheme, based on native biological assemblies and integrating major conformational change mechanisms - intrinsic, ligand-induced, and protein-induced - within a single curated dataset. We conducted a comprehensive evaluation of state-of-the-art structure prediction models, including AlphaFold3 and recent generative approaches. Our findings reveal that current models exhibit a limited ability to sample intrinsic multi-states and are often insensitive to biological context in induced scenarios. Internal representation analysis suggests that training-data exposure can shift predictions toward dominant conformational states over alternative biologically relevant states, primarily at the structure module. In contrast, results from BioEmu indicate that reducing decoding-stage bias can substantially improve multi-state sampling without major changes to upstream pair representations.

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20.
arXiv (quant-ph) 2026-06-11

Machine-learned, finite temperature Fermi-operator expansions suitable for GPUs and AI-hardware

作者:
Stanislaw Kowalski↗Christian F. A. Negre↗Anders M. N. Niklasson↗Kipton Barros↗Joshua Finkelstein↗

arXiv:2605.08523v2 Announce Type: replace Abstract: We present several finite-temperature recursive Fermi-operator expansion schemes based on the second-order spectral projection (SP2) method. Our approach builds on a previous observation that the electronic structure problem, as formulated through a recursive SP2 expansion, can be mapped onto the architecture of a deep neural network. Using this perspective, we generalize SP2 to finite electronic temperatures by constructing machine learning models that determine optimized recursive expansion coefficients. The same approach is also applied to the prediction of the electronic entropy for fractional occupation numbers. The coefficients are trained for a specified chemical potential and electronic temperature and are not available in closed analytical form. However, by employing an appropriate affine rescaling strategy to the Hamiltonian matrix, we eliminate the need to retrain the model for different temperatures and chemical potentials. Our approach avoids explicit diagonalization and relies solely on highly optimized matrix-matrix multiplication kernels. Compared to state-of-the-art diagonalization, we achieve an order-of-magnitude speedup in the single-particle finite-temperature density matrix calculation for small and moderately sized matrices on modern GPUs and dense matrix multiply units.

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21.
arXiv (CS.CL) 2026-06-19

TSAssistant: A Human-in-the-Loop Agentic Framework for Automated Target Safety Assessment

作者:
Xiaochen Zheng↗Zhiwen Jiang↗David Tokar↗Yexiang Cheng↗Alvaro Serra↗Melanie Guerard↗Klas Hatje↗Tatyana Doktorova↗

Target Safety Assessment (TSA) requires systematic integration of genetic, transcriptomic, target homology, pharmacological, and clinical data to evaluate potential safety liabilities of therapeutic targets. This process is labor-intensive and expert-dependent, posing challenges in scalability and reproducibility. We present TSAssistant, a human-in-the-loop multi-agent framework that decomposes TSA report generation into a workflow of specialized subagents: Research Subagents that each ground and cite a single TSA domain, and Synthesis Subagents that integrate findings across domains. Subagents retrieve and synthesize evidence from curated biomedical sources through standardized tool interfaces and produce individually citable, evidence-grounded sections, with behavior shaped by a hierarchical instruction architecture that separates coordination logic from domain expertise and user intent. To complement these soft constraints, programmatic execution hooks and persistent memory stores enforce hard constraints across the workflow, while an interactive refinement loop allows experts to review and revise individual sections with full conversational context preserved across iterations. Rather than a single holistic comparison, we decompose report quality into reproducibility, evidential grounding, task-level accuracy, and controllability under expert oversight, finding high reproducibility and grounding, substantial agreement with the human reference, and net-positive expert-driven refinement.

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22.
medRxiv (Medicine) 2026-06-18

Effectiveness and Safety of Bempedoic Acid Across Clinically Relevant Subgroups: Insights from the CLEAR Taiwan Study

作者:
Wu↗Y.-W↗Chen↗D.-Y↗Chu↗C.-S↗Chang↗Y.-Y↗Tzeng↗B.-H↗Huang↗T.-C↗…

Background Despite available lipid-lowering therapies (LLT), many patients fail to achieve low-density lipoprotein cholesterol (LDL-C) targets. This gap persists across clinically relevant subgroups. Bempedoic acid has demonstrated effective LDL-C lowering with a favorable safety profile in the CLEAR Taiwan study; however, its effects across subgroups in Asian populations remains limited. Methods The phase IV CLEAR Taiwan study (NCT06925100) enrolled patients with inadequately controlled hypercholesterolemia who received bempedoic acid for 12 weeks in addition to background LLT. This analysis evaluated changes in lipid parameters, high-sensitivity C-reactive protein (hsCRP), and safety outcomes in clinically relevant subgroups, including cardiovascular risk, diabetes, age, statin tolerance, and sex. Results A total of 180 patients were included. Bempedoic acid achieved significant LDL-C reductions in all subgroups. Numerically greater LDL-C reductions were observed in primary prevention, statin-intolerant, younger (< 65 years), and female patients, while comparable reductions were observed across diabetes status. Reductions in non-high-density lipoprotein cholesterol, total cholesterol, and apolipoprotein B were consistent with LDL-C findings. Significant decreases in hsCRP were observed in all subgroups, with numerically greater reductions in patients aged < 65 years and those without diabetes. Bempedoic acid was well tolerated, with a low incidence of adverse events and no new safety signals identified. Changes in liver enzymes, renal function, and uric acid were minimal within subgroups. Conclusion Subgroup analyses from the CLEAR Taiwan study demonstrate consistent efficacy and safety of bempedoic acid across clinically relevant subgroups and support its use as a flexible option to address residual gaps in lipid management.

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23.
arXiv (CS.LG) 2026-06-24

LoMime: Query-Efficient Membership Inference using Model Extraction in Label-Only Settings

作者:
Abdullah Caglar Oksuz↗Anisa Halimi↗Erman Ayday↗

arXiv:2602.18934v2 Announce Type: replace Abstract: Membership inference attacks (MIAs) threaten the privacy of machine learning models by revealing whether a specific data point was used during training. Existing MIAs often rely on impractical assumptions, such as access to public datasets, shadow models, confidence scores, or knowledge of the training data distribution, making them vulnerable to defenses like confidence masking and adversarial regularization. Label-only MIAs, even under strict constraints, suffer from high query requirements per sample. We propose a cost-effective label-only MIA framework based on transferability and model extraction. By querying the target model $M$ using active sampling, perturbation-based selection, and synthetic data, we extract a functionally similar surrogate model $S$ on which membership inference is performed. This shifts the query overhead to a one-time extraction phase, eliminating repeated queries to $M$. Our method matches the performance of state-of-the-art label-only MIAs while significantly reducing query costs and operating under strict black-box constraints. On benchmark tabular datasets, we show that a query budget equivalent to testing the membership of approximately $1%$ of the training samples is sufficient to extract $S$ and achieve membership inference accuracy within $\pm 1%$ of that obtained when attacking $M$ directly. We also evaluate the effectiveness of standard defenses, including DP-SGD and regularization, proposed for label-only MIAs against our attack. Finally, we present preliminary results extending our framework to deep neural networks trained on image datasets, demonstrating promising transferability and membership inference performance under label-only access while highlighting directions for further optimization.

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24.
arXiv (math.PR) 2026-06-18

Multi-floor generalization of TASEP

作者:
Yuliy Baryshnikov↗Alexander Stolyar↗

arXiv:2603.13610v2 Announce Type: replace Abstract: We consider an interacting particle system, which generalizes the classical totally asymmetric simple exclusion process (TASEP), in that each site can contain up to a fixed finite number of particles, and the particle movement is governed by a back-pressure (BP) algorithm (also often called MaxWeight). There are $N$ sites (with $N$ finite or infinite), each may contain at most $c$ particles, $1 \le c < \infty$. New particles enter the system at the left-most site $1$ as a Poisson process of rate $\alpha\le 1$, unless site $1$ has $c$ particles. Particles (if any) are removed from the right-most site $N$ as a Poisson process of rate $\beta \le 1$. The left-to-right movement of particles between neighboring sites is governed by the BP rule: one particle moves from site $n$ to $n+1$ at epochs of a rate $1$ Poisson process, as long as the former site has strictly more particles than the latter. When $c=1$, this is the standard TASEP. Our main results address the asymptotics of the stationary distribution of a finite system, and especially the limit of the flux (current) as $N\to\infty$. In particular, we prove that interesting non-trivial phase transitions take place in a system with $c>1$. For example, if $c>1$ and $1/2 \le \beta \le 1$, the maximum limiting flux $1/4$ is achieved as long as $\alpha \ge \alpha_c^*$, where $\alpha_c^* < 1/2$ is some non-trivial threshold. (For the standard TASEP the threshold is $1/2$.) We also put forward a general conjecture about the stationary distribution asymptotics under an arbitrary parameter setting. We illustrate our formal results and the conjecture by simulations, and identify interesting directions for further research.

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25.
arXiv (quant-ph) 2026-06-17

Optimal Probe State for Phase Estimation Under Covariant Measurement

作者:
Qipeng Qian↗Christos N. Gagatsos↗

arXiv:2606.18169v1 Announce Type: new Abstract: We study the optimization of input states for phase estimation under covariant measurements. Building on Holevo's framework, which provides the optimal covariant measurement for a fixed input state, we further optimize over the input state itself. For a general even $2\pi$-periodic cost function with non-negative Fourier coefficients, we derive a necessary and sufficient condition for the optimal input state: Its Fock coefficients are determined, up to arbitrary phases, by the eigenvector corresponding to the largest eigenvalue of a Toeplitz matrix defined by the cost function. This characterization yields an explicit expression for the attainable lower bound of the average cost under optimal covariant measurements and shows that this bound asymptotically approaches zero in the infinite-energy limit. For the specific cost function $W(\theta,\tilde{\theta})=4\sin^2[(\theta-\tilde{\theta})/2]$, we obtain the optimal input state and the corresponding minimum average cost in closed form, demonstrating Heisenberg scaling with respect to the mean photon number.

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