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01.
medRxiv (Medicine) 2026-06-15

High Demand, Low Possession: Dilemmas and Strategies for Research Capability Cultivation in Clinical Medicine Postgraduates

Most previous studies have examined medical postgraduate research training from a single dimension, lacking a full-chain analysis that integrates capability demand, actual possession, obstacles, and output. Consequently, the measurement of capability gaps and the analysis of underlying training model deficiencies remain insufficient. To address this gap, we administered a self-designed multidimensional questionnaire to 86 clinical medicine postgraduates at a medical school, covering research cognition, interest, capability demand and possession, participation pathways, difficulties, and outputs. The aim was to systematically characterize the current situation, identify problems, and propose optimization strategies. Over 90% of participants expressed interest in research, yet only 1.16% self-rated as very knowledgeable. The largest demand-possess gap was for writing and publication (86.05% vs. 16.28%), followed by independent research capability (75.58% vs. 11.63%). A total of 59.30% cited lack of foundational knowledge, making experiments very difficult, as the greatest challenge, and 66.28% had no research achievements. The primary source of research topics was supervisor assignment (54.65%), with only 4.65% choosing topics independently. No statistically significant differences were found across grades or training types (P > 0.05). These findings reveal a structural high demand, low possession gap in medical postgraduate research training, with early research experience deficit and a passive research model as key constraining factors. Accordingly, an integrated bachelor-postgraduate progressive research competency training system is proposed.

02.
bioRxiv (Bioinfo) 2026-06-19

HTS-Oracle v2: Prospective AI-Guided Discovery and Experimental Validation of Small Molecule Modulators Across Multiple Targets

High-throughput screening (HTS) remains the cornerstone of early-phase small molecule discovery yet consistently underperforms against immunotherapy targets, yielding validated hit rates below 0.1%. Here we introduce HTS-Oracle v2, which features rigorous cross-validation that ensures honest performance estimates. HTS-Oracle v2 was trained and validated across four clinically significant immune checkpoint targets (CD28, ICOS, LAG-3, and TIGIT) achieving ROC-AUC values of 0.968, 0.969, 0.875, 0.928 respectively under rigorous cross-validation. For prospective experimental validation, HTS-Oracle v2 was applied to an 8,960-compound Enamine Protein Mimetic Library, selecting only 25 compounds per target for experimental testing using temperature-related intensity change (TRIC) technology, a 99.7% reduction in screening burden. HTS-Oracle v2 identified 4, 5, 4, and 6 validated binders from 25 prospectively selected compounds per target, corresponding to validated hit rates of 16%, 20%, 16%, and 24%, respectively. Notably, 67-80% of all experimentally confirmed hits across the full 8,960-compound library were captured within just 25 model-selected compounds per target. For CD28, this represents a 28-fold improvement over HTS-Oracle v1 (239x versus 8.4x), establishing HTS-Oracle v2 as an efficient platform for AI-guided prospective hit discovery across immunotherapy targets.

03.
arXiv (CS.CV) 2026-06-17

Enhancing Pathological VLMs with Cross-scale Reasoning

Pathological images are inherently multi-scale, requiring pathologists to integrate evidence from global tissue architecture at low magnification to cellular morphology at higher magnification for accurate diagnosis. While existing pathological datasets for vision-language model (VLM) include various scales, they often lack an explicit cross-scale reasoning objective. This limitation prevents VLMs from capturing essential cross-scale representations and learning evidence-based reasoning. To bridge this gap, we introduce the first cross-scale training and evaluation paradigm that formulates pathology interpretation as multi-magnification reasoning. However, creating such a task reveals a critical challenge: multi-image visual question answering (VQA) is prone to text-only shortcuts, which allow models to guess answers using magnification-dependent artifacts rather than visual evidence. To address this, we propose a leakage-aware curation pipeline that combines adversarial text-only screening with constraint-guided question design. Using this pipeline, we construct Scale-VQA, a high-quality benchmark with 4,685 multiple-choice questions grounded in 2,537 pathology images across multiple magnification levels. Finally, we present ScaleReasoner-R1, a model trained via reinforcement learning to optimize performance on the cross-scale VQA task. ScaleReasoner-R1 achieves state-of-the-art performance on our cross-scale reasoning benchmark and generalizes to SOTA performance on established single-scale benchmarks. Findings suggest that even the limited cross-scale supervision can significantly improve pathological understanding. The code and demos will be open-sourced.

04.
arXiv (CS.AI) 2026-06-11

Improving Generalization and Data Efficiency with Diffusion in Offline Multi-agent RL

arXiv:2307.01472v2 Announce Type: replace Abstract: We present a novel Diffusion Offline Multi-agent Model (DOM2) for offline Multi-Agent Reinforcement Learning (MARL). Different from existing algorithms that rely mainly on conservatism in policy design, DOM2 enhances policy expressiveness and diversity based on diffusion model. Specifically, we incorporate a diffusion model into the policy network and propose a trajectory-based data-reweighting scheme in training. These key ingredients significantly improve algorithm robustness against environment changes and achieve significant improvements in performance, generalization and data-efficiency. Our extensive experimental results demonstrate that DOM2 outperforms existing state-of-the-art methods in all multi-agent particle and multi-agent MuJoCo environments, and generalizes significantly better to shifted environments {(in $28$ out of $30$ settings evaluated)} thanks to its high expressiveness and diversity. Moreover, DOM2 is ultra data efficient and requires no more than $5\%$ data for achieving the same performance compared to existing algorithms (a $20\times$ improvement in data efficiency).

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

Diffusion Models for Adaptive Sequential Data Generation

arXiv:2606.06007v2 Announce Type: replace Abstract: Generating realistic synthetic sequential data is critical in real-world applications across operations research, finance, healthcare, energy systems, and scientific computing, where time-indexed observations are used for prediction, simulation, risk assessment, and data-driven decision-making. While diffusion models have achieved remarkable success in generating static data, their direct extensions to sequential settings often fail to capture temporal dependence and information structure. Designing diffusion models that can simulate sequential data in an adapted manner, and hence without anticipation of future information, therefore remains an open challenge. In this work, we propose a sequential forward-backward diffusion framework for adapted time series generation. Our approach progressively injects and removes noise along the sequence, conditioning on the previously generated history to ensure adaptiveness. A novel score-matching objective is introduced for efficient parallel training. We derive rigorous statistical guarantees under a generic framework, then establish score approximation, score estimation, and distribution estimation results with ReLU networks serving as a concrete instance. Empirically, we validate our method on synthetic data, including ARMA models and Gaussian processes, and demonstrate its effectiveness in constructing mean-variance optimal portfolios.

06.
medRxiv (Medicine) 2026-06-10

A risk-of-contagion index using a Bayesian based model for the COVID-19 epidemic in Mexico

During the COVID-19 pandemic, limited testing capacity and reporting delays complicated epidemic surveillance and decision-making in Mexico. We calibrated textit{covidestim}, a Bayesian nowcasting model, to estimate the total SARS-CoV-2 infections from reported cases and deaths using Mexican surveillance data. Disease-progression distribution priors were calibrated using Mexico City records and validated through comparisons with national seroprevalence surveys, hospitalization data, and annual reported severe-case rates across all states. Using the reconstructed estimates of active infections, we implemented an event-based risk framework that quantifies the probability of encountering at least one infectious individual in gatherings of different sizes. This probability was subsequently translated into a four-level epidemiological traffic-light indicator and computed at both state and municipality levels. The resulting estimates revealed substantial spatial heterogeneity that is obscured by state-level aggregation, particularly in states with marked differences between urban and rural municipalities. To evaluate consistency with public-health indicators, we compared the proposed risk classification with the official Mexican epidemiological traffic-light system, considering interpretable gathering sizes relevant to public-health decision making. Weekly reports derived from this framework were delivered to policymakers in the State of Queretaro in Mexico, as an anticipation tool for school reopening and public-space management. This demonstrates that this Bayesian reconstruction of infections combined with event-based risk metrics can provide an interpretable and generalizable municipality-level complement to routine surveillance systems, particularly in regions with limited testing capacity and heterogeneous local transmission dynamics.

07.
arXiv (quant-ph) 2026-06-12

Achieving Heisenberg limit under noisy conditions with quantum Zeno dynamics and dynamical decoupling

arXiv:2606.13205v1 Announce Type: new Abstract: Quantum Zeno dynamics (QZD) and dynamical decoupling (DD) are useful tools that enable the effective suppression of noise in quantum systems. We consider the problem of when (i) noise can be suppressed and (ii) Heisenberg limit (HL) can be achieved in quantum metrology, and prove necessary and sufficient conditions for when QZD and DD are useful for achieving these two goals. We also show that in the Markovian regime, there are scenarios where preventing errors using QZD/DD may enable HL to be achieved where current QEC methods may not. Finally, we demonstrate that the combination of both techniques can allow individually imperfect QZD and DD strategies to saturate HL.

08.
arXiv (CS.CV) 2026-06-17

Visual Retrieval-Augmented Generation for Silhouette-Guided Animal Art

Generative AI has advanced the ability to render photorealistic or artistic images, yet it remains limited in a key aspect of human creativity: interpreting ambiguous shapes. This phenomenon, rooted in pareidolia, allows humans to perceive meaningful forms in random patterns such as clouds, stones, or leaves. To computationally replicate this imaginative process, we introduce Visual Retrieval-Augmented Generation (Visual-RAG), a framework that generates animal art directly from natural silhouettes. Our method retrieves structurally similar animal shapes from a curated corpus of 28,586 high-quality silhouettes and uses them as reference exemplars to guide diffusion-based generation with ControlNet and IP-Adapter. Ablation studies confirm that shape Context with RANSAC provides the most accurate alignment, while removing shape standardization reduces the inlier ratio to just 13.4\%, underscoring the importance of structural fidelity in Visual-RAG. A user study with 12 participants evaluated the outputs in terms of aesthetics, silhouette fidelity, and overall impression. Results reveal that while Visual-RAG provides plausible interpretations, challenges remain in achieving high perceptual impact. This work lays the foundation for computational pareidolia, showing how machines can contribute to the early stages of imaginative discovery.

09.
arXiv (CS.LG) 2026-06-25

Adaptive Cumulative Mass Calibration with Conformal Prediction

arXiv:2505.15437v3 Announce Type: replace-cross Abstract: Reliable probability estimates by classifiers are essential in high-risk applications. In practice, however, predicted probabilities are often miscalibrated, and many existing post-hoc calibration methods typically lack guarantees that a specific notion of calibration is achieved after the correction procedure is applied. We introduce a set-based perspective on calibration through the notion of cumulative mass calibration and the corresponding error measures. We propose a new calibration procedure based on conformal prediction that forms cumulative probabilities with guaranteed marginal coverage. We introduce an adaptive temperature scaling algorithm, with the temperature tuned for each input to satisfy the conformal coverage constraint. As we show, this procedure can be efficiently implemented. Across image classification tasks, particularly in settings with many classes, our method improves newly introduced calibration error measures (CMCE and $\alpha$-CMCE) and standard metrics (such as ECE, cw-ECE, MCE) over the existing baselines.

10.
arXiv (CS.LG) 2026-06-12

Fourier Multi-Component and Multi-Layer Neural Networks: Unlocking High-Frequency Potential

arXiv:2502.18959v3 Announce Type: replace Abstract: The architecture of a neural network and the choice of its activation function are both fundamental to its performance. Equally important is ensuring that these two elements are well matched, as their alignment is key to effective representation and learning. In this paper, we introduce the Fourier Multi-Component and Multi-Layer Neural Network (FMMNN), a model that combines sine-type activations with the multi-component and multi-layer structure of MMNNs. In an FMMNN, each component is represented as a trainable linear combination of fixed random sine-type basis functions, while multi-layer composition generates more complex and adaptive high-frequency features. We establish that FMMNNs retain exponential expressive power for function approximation even under a low-rank architectural structure. We also analyze the optimization landscape of FMMNNs and find it to be substantially more favorable than that of standard fully connected neural networks, especially for high-frequency targets. In addition, we propose a scaled random initialization method for the first-layer weights in FMMNNs, which accelerates training and improves final performance when sufficient samples are available. Extensive numerical experiments support our theoretical insights, showing that FMMNNs achieve strong accuracy and favorable convergence behavior on oscillatory function-approximation benchmarks.

11.
arXiv (CS.CV) 2026-06-25

Evaluation Protocols and Validation for Cameras in Indoor Healthcare Monitoring

Camera-based monitoring systems are increasingly adopted in healthcare settings for the continuous assessment of patient movement and activities. However, their technical performance under real-world indoor conditions remains insufficiently characterised, preventing appropriate camera selection for clinical or home adoption and reproducibility. Existing validation studies typically assess either device metrological performance or algorithm accuracy in isolation, and often do not systematically account for practical deployment factors, such as lighting variability, occlusions, and camera positioning. We present two technical validation protocols: the first evaluates the metrological performance of RGB and RGB-D cameras, and the second assesses their use in supporting human pose estimation, validated using state-of-the-art pose estimators. The proposed protocols systematically assess five cameras, four RGB-D and one RGB, under controlled variations in lighting, camera height, viewing angle, and occlusion level within representative indoor scenarios. The experimental results show that metrological performance varies substantially across cameras, with depth bias at 5 m ranging from 50 mm to over 1400 mm depending on the device. For 2D pose estimation, all cameras achieve broadly comparable accuracy, with mean mAP between approximately 78% and 90% across cameras and estimators, whereas 3D reconstruction error differs markedly across devices, with MPJPE ranging from 104 mm to 365 mm, closely reflecting underlying depth-sensing quality. Environmental factors have a camera- and estimator-dependent effect on 3D performance, while camera mounting height has minimal influence within the evaluated range. This work provides evidence-based guidance for the selection and deployment of cameras in healthcare monitoring applications, addressing an important gap in current technical validation practice.

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

Learned JPEG Compression for DNN Vision

JPEG, a lossy image compression technique designed for human viewers, has maintained its dominance for decades. However, in the era of artificial intelligence (AI), a substantial portion of image data, often compressed by JPEG, is and will continue to be consumed by deep neural networks (DNNs) instead of humans, thus creating a need to optimize JPEG for DNN inference performance. To this end, we propose learned JPEG compression for DNN vision (J4D), a novel training framework for determining JPEG encoding parameters to minimize compression rate while maximizing DNN inference performance. The major challenge of solving this optimization problem lies in representing the JPEG codec and compression rate in closed form. By incorporating a differentiable soft quantizer based on a probabilistic quantization scheme, we not only obtain a differentiable proxy for the JPEG codec, but are also able to compute the entropy of the coded source analytically, which is a close estimate of the actual compression rate. Equipped with both the differentiable JPEG codec and the information-theoretic rate estimator, we are then able to solve the aforementioned optimization problem with backpropagation. After training, the learned encoding parameters will be subsequently used in actual JPEG encoding based on probabilistic quantization. Extensive experimental results across multiple datasets and DNN architectures demonstrate that J4D consistently and significantly outperforms the default JPEG and other competitive JPEG codecs optimized for DNNs. Notably, compared to the default JPEG, J4D achieves an increase in accuracy by as much as 11.60% at the same rate, or a reduction of compression rate up to 80.05% at the same accuracy. Additionally, with the help of J4D, we show the potential to design universal JPEG encoding parameters for various DNN architectures for the first time.

13.
arXiv (CS.CV) 2026-06-18

LandslideAgent with Multimodal LandslideBench: A Domain-Rule-Augmented Agent for Autonomous Landslide Identification and Analysis

Intelligent landslide hazard interpretation is critical for disaster prevention, yet current paradigms struggle to simultaneously extract visual features and high-level geoscientific semantics, while general-purpose vision-language models (VLMs) suffer from perceptual limitations and domain hallucinations in complex geological scenarios. To address these challenges, we propose an instruction-driven agentic framework comprising three components. First, LandslideBench, a multimodal fine-grained dataset with seven subtype labels, high-resolution imagery, pixel-level masks, and high-quality textual descriptions, is constructed via multi-VLM cross-validation and interactive annotation. Then, LandslideVLM, a landslide-oriented VLM, is fine-tuned via LoRA on LandslideBench to enhance geological semantic understanding. Finally, LandslideAgent, a domain rule-enhanced agent taking LandslideVLM as its cognitive backbone, employs a dual-rule controller incorporating structured report metadata constraints and cross-validation identification constraints to regulate automated tool invocation. Experiments demonstrate that LandslideBench provides effective baselines across five mainstream models on fine-grained classification and semantic segmentation. LandslideVLM achieves accuracy improvements of 10.96%, 32.87%, and 15.91% on landslide discrimination, fine-grained classification, and semantic description quality, respectively. LandslideAgent further enables autonomous multi-source spatial data inference, realizing full-process intelligence for landslide identification and analysis.

14.
arXiv (CS.CV) 2026-06-19

Shape of Thought: Progressive Object Assembly via Visual Chain-of-Thought

Multimodal models for text-to-image generation have achieved strong visual fidelity, yet they remain brittle under compositional structural constraints, notably generative numeracy, attribute binding, and part-level relations. To address these challenges, we propose Shape-of-Thought (SoT), a visual CoT framework for process-supervised progressive shape assembly in the rendered 2D domain, without external engines at inference time. SoT trains a unified multimodal autoregressive model to generate interleaved textual plans and rendered intermediate states, helping the model capture shape-assembly logic without producing explicit geometric representations. Unlike text-only CoT, each decision is grounded in a rendered state, making counts, attachments, topology, and intermediate part-addition errors inspectable across the trajectory. To support this paradigm, we introduce SoT-26K, a large-scale dataset of grounded assembly traces derived from part-based CAD hierarchies, and T2S-CompBench, a benchmark for evaluating structural integrity and trace faithfulness. Fine-tuning on SoT-26K achieves 88.4% on component numeracy and 84.8% on structural topology, outperforming direct generation by +24.2 points on component numeracy and +19.3 points on structural topology. SoT establishes a transparent testbed for rendered-domain structure-aware generation. The code is available at https://github.com/yuhuo03/Shape-of-Thought.

15.
arXiv (CS.CV) 2026-06-24

M4-SAR: A Multi-Resolution, Multi-Polarization, Multi-Scene, Multi-Source Dataset and Benchmark for optical-SAR Object Detection

Single-source remote sensing object detection using optical or SAR images struggles in complex environments. Optical images offer rich textural details but are often affected by low-light, cloud-obscured, or low-resolution conditions, reducing the detection performance. SAR images are robust to weather, but suffer from speckle noise and limited semantic expressiveness. Optical and SAR images provide complementary advantages, and fusing them can significantly improve the detection accuracy. However, progress in this field is hindered by the lack of large-scale, standardized datasets. To address these challenges, we propose a new comprehensive dataset for optical-SAR fusion object detection, named Multi-resolution, Multi-polarization, Multi-scene, Multi-source SAR dataset (M4-SAR). It contains 112,174 instance-level aligned image pairs and nearly one million labeled instances with arbitrary orientations, spanning six key categories. To enable standardized evaluation, we develop a unified benchmarking toolkit that integrates six state-of-the-art multi-source fusion methods. Additionally, we propose E2E-OSDet, a novel end-to-end multi-source fusion detection framework that mitigates cross-domain discrepancies and establishes a robust baseline for future studies. Extensive experiments on M4-SAR demonstrate that fusing optical and SAR data can improve mAP by 5.7\% over single-source inputs, with particularly significant gains in complex environments. The dataset and code are publicly available at https://github.com/wchao0601/M4-SAR.

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

Polycepta: Object-Centric Appearance Estimation for Multi-Object Tracking

arXiv:2606.23604v2 Announce Type: replace-cross Abstract: The tracking-by-detection paradigm in multi-object tracking (MOT) typically relies on static appearance descriptors to complement motion estimation. However, these descriptors are frame-independent, limiting their robustness as visual cues. Since such descriptors are often obtained from computationally intensive pretrained backbones, real-time MOT systems frequently abandon appearance cues altogether and rely solely on motion prediction and geometric association. In this work, we introduce Polycepta, an object-centric appearance state estimation framework that reformulates appearance modeling as a recursive estimation problem rather than a frame-wise matching task. Polycepta constructs and continuously updates an independent appearance state for each tracked object, enabling future appearance representations to be estimated from accumulated observations. Polycepta is encouraged to learn the appearance-state construction of object-specific representations rather than memorize them through a proposed learning strategy, enabling appearance estimation for unseen classes. A key property of Polycepta is that the quality of appearance estimation improves as object states evolve during inference. While conventional appearance descriptors remain static or degrade over time, Polycepta progressively refines appearance estimates as additional observations are accumulated. Extensive experiments on KITTI, the Waymo Open Dataset, and MOT17 demonstrate consistent reductions in identity switches and improvements in tracking performance when integrated into the tracking-by-detection pipelines. Polycepta operates at 90.57 Hz and delivers state-of-the-art performance on the KITTI benchmark when integrated into the RobMOT framework, achieving a MOTA of 92.27\%.

17.
Nature (Science) 2026-06-10

Light-induced quantum friction of carbon nanotubes in water

Friction slows down moving objects at both macroscopic and microscopic scales1. At the electronic level, quantum friction describes direct transfer of momentum between a liquid and the electrons of a solid2. Owing to its microscopic nature, this phenomenon remains experimentally challenging to capture3. Here we show that near-infrared fluorescent single-walled carbon nanotubes (SWCNTs) exhibit light-induced quantum friction in water. It is measured by observing an excitation-power-dependent linear decrease of around 50% in the diffusion constants of functionalized SWCNTs in aqueous solution. This effect disappears when excitons are localized, as in the case of SWCNTs with quantum defects. We further show that the chemical manipulation of exciton concentration by molecules that increase or decrease SWCNT fluorescence also modulates the diffusion constant by up to a factor of 2. Optical pump terahertz (THz) probe spectroscopy shows an instantaneous response (around 30 cm−1) that we assign to direct exciton–water coupling in the range of water Debye modes. It is followed by an increasing (>100 ps) response in the range of intermolecular translational modes of the hydrogen bond network of water (>100 cm−1), resembling heating. Classical molecular dynamics simulations further support a mechanism in which the fluctuating dipole moments of excitons create frictional forces. These findings establish light-induced quantum friction between excitons in SWCNTs and water and show that electronic excitations can be used to control nanoscale motion and fluid properties. Near-infrared fluorescent carbon nanotubes exhibit light-induced quantum friction in water, in which exciton interactions slow nanoscale motion and enable optical control of diffusion and fluid dynamics.

18.
arXiv (CS.CV) 2026-06-19

Cinematic Compositing Using Character-Environment-Harmonized Video Generation Models

Cinematic compositing aims to integrate green-screen characters into novel environments while maintaining physical and photometric realism. Previous methods often fail to capture the complex bidirectional interactions between characters and their surroundings, which we characterize as Character-to-Environment (C2E) physical interaction and Environment-to-Character (E2C) lighting harmonization. To address this, we propose an end-to-end video diffusion framework that jointly models C2E and E2C interactions, specifically handling the challenges of interactive props. Our approach introduces a tri-mask-guided architecture with RGB-D joint denoising to ensure physically consistent interactions among the character, props, and environment. We further develop an efficient prior-driven data curation pipeline to construct high-quality relighting pairs without expensive rendering. Finally, a reference-conditioned mechanism enables controllable environment synthesis and precise prop replacement. Extensive experiments demonstrate that our framework significantly outperforms existing methods in cinematic-quality dynamic video compositing.

19.
arXiv (CS.AI) 2026-06-11

ProGRank: Probe-Gradient Reranking to Defend Dense-Retriever RAG from Corpus Poisoning

arXiv:2603.22934v3 Announce Type: replace Abstract: Retrieval-Augmented Generation (RAG) improves large language model applications by grounding generation in retrieved evidence, but also introduces corpus poisoning as a new attack surface. In this setting, an adversary injects or edits passages so that they enter the Top-$K$ results for target queries and influence downstream generation. Existing defences often rely on content filtering, auxiliary models, or generator-side reasoning, which complicates deployment. We propose ProGRank, a post hoc, training-free retriever-side defence for dense-retriever RAG. ProGRank stress-tests each query–passage pair under mild randomized perturbations, extracts probe gradients from a small fixed parameter subset, and derives two instability signals: representational consistency and dispersion risk. It then combines these signals with a score gate for reranking. ProGRank preserves the original passage content, requires no retraining, and supports a surrogate-based variant when the deployed retriever is unavailable. Experiments across datasets, retrievers, attacks, and retrieval-stage and end-to-end settings show that ProGRank improves robustness and maintains a favorable robustness–utility trade-off, including under adaptive evasive attacks.

20.
arXiv (CS.LG) 2026-06-24

Project Ariadne: Prompt-Conditioned Route Generation for Synthesis Planning

arXiv:2606.24184v1 Announce Type: new Abstract: Retrosynthetic planning seeks to connect a target molecule to commercially available starting materials through a multistep route. Classical planners construct such routes by iteratively applying single-step reaction models within a search procedure; constrained variants often require specialized algorithms or architectural changes. Direct route generation reframes retrosynthesis as sequence generation, but existing direct-generation methods still train separate models for different planning specifications. We introduce Ariadne, a decoder-only route generator that represents the target, optional constraints, and route in one prompt-completion sequence. On the RetroCast/PaRoutes mkt-cnv-160 benchmark family, one 24-layer checkpoint follows route-depth and required-starting-material prompts: adding the corresponding prompt fields raises Solv-0 by 13.7 points for depth constraints and 31.2 points for required-leaf constraints. Ariadne also improves over DESP, a bidirectional search planner, on required-leaf Top-10 and Solv-0 in 24 GPU-minutes versus 6.8 GPU-hours. On standard reconstruction, Ariadne is comparable to DMS Explorer XL at about half the reported inference time. Across additional target-only benchmarks, Ariadne's clearest gains are on route-holdout reconstruction, whereas AiZynthFinder MCTS remains stronger on several Solv-0 comparisons. These results extend sequence generation from specialist retrosynthesis models to prompt-conditioned structural route generation. We release the codebase and training scripts to support further work, but do not introduce Tier-1–3 route checkers; those remain the main bottleneck before models of this kind can become useful to experimental chemists.

21.
bioRxiv (Bioinfo) 2026-06-18

A Two-Stage Interpretable Framework for Predicting Plant-Derived Small RNA Targets on Human 3'UTRs

作者:

Can plant-derived small RNAs target human mRNA 3'UTRs via complementary base pairing and produce experimentally detectable regulatory effects? This question concerns not only the fundamental feasibility of cross-kingdom RNA regulation but also the technological pathway for screening plant-derived active small nucleic acids. Existing miRNA target prediction tools are predominantly designed for endogenous miRNA-mRNA systems, exhibiting notable limitations when applied to cross-species small RNA inputs and small-sample wet-lab experimental adaptation. In this study, we developed a two-layer prediction framework, MetaLulu-AI. The first layer builds upon publicly available human miRNA-mRNA 3'UTR interaction data, utilizing XGBoost to learn foundational binding rules on human 3'UTRs based on 41 interpretable computational features, including seed region pairing types, local context sequence composition, site positioning, and RNA secondary structures. The second layer is tailored to the experimental system of plant-derived small RNAs and human target genes. It introduces 40 experimental samples using significant changes in endogenous protein expression as the regulatory standard (determined by Western blot or ELISA 48 hours post-transfection of small RNAs via Lipo3000). Using 52-dimensional computational features and the optimal transcript scores from the first layer as inputs, this layer employs TabPFN for experimental label adaptation. The first-layer dataset consists of 38,752 training samples, 5,536 validation samples, and 11,073 testing samples (totaling 55,361), with a positive-to-negative sample ratio of approximately 1:5.4. On the randomly split test set, the model achieved an AUC of 0.9686, a recall of 0.8523, a precision of 0.8080, and an accuracy of 0.9452 (at a decision threshold of 0.4797). Group-based splitting revealed that the model maintains high discriminative power for unseen genes (AUC = 0.9541), though its generalization ability for completely unseen miRNAs decreases (AUC = 0.7390). For the 40 experimental samples in the second layer, the TabPFN model achieved an average AUC of 0.7406 {+/-} 0.092 across ten repeated 70/30 random splits, outperforming the baseline of directly using the first-layer scores (0.3563 {+/-} 0.149); the average AUC in a 5-fold cross-validation was 0.770 {+/-} 0.177. SHAP analysis demonstrated a clear divergence in the discriminative basis of the two models: the first layer relies more heavily on the thermodynamics of the small RNA itself and the quality of canonical seed sites, whereas the second layer focuses more on the local UTR environment and statistical site features. Although the current second-layer results are constrained by sample size and gene coverage, this framework serves as a preliminary observation of the adaptation mechanism for cross-kingdom regulation experiments, and motivating future large-scale validation. Under stricter leave-one-gene-out and leave-one-small-RNA-out evaluation, the adapter exceeded the first-layer score baseline but only matched the majority-class baseline, underscoring that entity-level generalization is not yet established.

22.
arXiv (quant-ph) 2026-06-15

Certifying Macroscopic Quantum Mechanics via Hypothesis Testing with Finite Data

arXiv:2506.22092v2 Announce Type: replace Abstract: We address the challenge of certifying quantum behavior with single macroscopic massive particles, subject to decoherence and finite data. We propose a hypothesis testing framework that distinguishes between classical and quantum mechanics based on position measurements. While interference pattern visibility in single-particle quantum superposition experiments has been commonly used as a sufficient criterion to falsify classical mechanics, we show that, from a hypothesis testing perspective, it is neither necessary nor efficient. Focusing on recent proposals to prepare macroscopic superposition states of levitated nanoparticles, we show that the likelihood ratio test – which leverages differences across the entire probability distribution – provides an exponential reduction in measurements needed to reach a given confidence level. These results generalize to a broad class of quantum states, and offer a principled, efficient method to falsify classical mechanics in interference experiments, relaxing the experimental constraints faced by current efforts to test quantum mechanics at the macroscopic scale.

23.
arXiv (CS.CL) 2026-06-16

G-Loss: Graph-Guided Fine-Tuning of Language Models

Traditional loss functions, including cross-entropy, contrastive, triplet, and su pervised contrastive losses, used for fine-tuning pre-trained language models such as BERT, operate only within local neighborhoods and fail to account for the global semantic structure. We present G-Loss, a graph-guided loss function that incorporates semi-supervised label propagation to use structural relationships within the embedding manifold. G-Loss builds a document-similarity graph that captures global semantic relationships, thereby guiding the model to learn more discriminative and robust embeddings. We evaluate G-Loss on five benchmark datasets covering key downstream classification tasks: MR (sentiment analysis), R8 and R52 (topic categorization), Ohsumed (medical document classification), and 20NG (news categorization). In the majority of experimental setups, G-Loss converges faster and produces semantically coherent embedding spaces, resulting in higher classification accuracy than models fine-tuned with traditional loss functions.

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

AME: A Multi-Type Contributor Attribution Framework in Generative AI Markets

Generative AI enables value creation through multi-stage collaboration among heterogeneous contributors, including training data, base models, fine-tuning behaviors, and prompts. However, how to fairly allocate the data value remains largely unexplored. This paper formulates multi-stage generative AI value allocation as a new research problem and identifies three core challenges: heterogeneous data contribution valuation, data rights mapping, and trustworthy execution. We propose AME (Attribution-Mapping-Execution) framework, a unified framework that integrates data contribution valuation, data rights mapping, and trustworthy execution into a single workflow. Experimental results demonstrate that AME framework achieves data value allocation outcomes more consistent with human reference judgments while maintaining low-cost trustworthy execution. Our work provides an initial foundation for value assessment and revenue allocation in generative AI data markets.

25.
arXiv (math.PR) 2026-06-16

The optimal sub-Gaussian normalisation for randomised monotone functions

arXiv:2312.01265v5 Announce Type: replace Abstract: Let $\mathcal{M}$ denote the class of randomised monotone functions on $\mathbb{R}$ with values in $[0,1]$, and let $U_{\mathcal{M}}\colon \mathbb{R}_+\to \mathbb{R}_+$ be the minimal function for which $$ \mathbb{P}\left\{ \sqrt{\eta_f}\, \sup_{t\in\mathbb{R}} \left| f_Z(t) - \Exf{f_Z(t)} \right| \ge \varepsilon\sqrt{U_{\mathcal{M}}(\eta_f)} \right\} \le 2\e^{-2\varepsilon^2} $$ holds for every member $f_Z$ of $\mathcal{M}$ with finite effective sample size $\eta_f$ and every positive $\varepsilon$. We prove that for every $x> 1$, $$ \left| \sqrt{U_{\mathcal{M}}(x)} - \sqrt{\log_4 x} \right| \le 2 \min\!\left\{ 1,\, \frac{2 \ln(\e + \ln x)}{\sqrt{\ln x}} \right\}\,. $$ The optimal adjustment $\sqrt{U_{\mathcal{M}}(x)}$ matches $\frac{1}{\sqrt{2\ln 2}}\sqrt{\ln x}$ for all $x>1$, with residuals bounded as above.