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01.
arXiv (CS.CV) 2026-06-19

SpatialSV: Internalizing Interpretable 3D Spatial Awareness in MLLMs via Task-Oriented Visual Supervision

Unlocking the spatial intelligence of multimodal large language model (MLLMs) is crucial for understanding and interacting with the 3D world. Prevailing approaches typically inject spatial priors via external tools, which impose significant inference overhead, or rely on latent feature distillation, which remains uninterpretable and lacks fine-grained geometric constraints. To address these issues, we propose SpatialSV, a framework designed to internalize robust 3D spatial awareness within MLLMs while simultaneously offering inherent interpretability. Deviating from passive feature imitation, SpatialSV employs task-oriented visual supervision, compelling the model to actively lift its 2D visual features into explicit 3D representations, including depth maps, camera poses, and point clouds. Crucially, this 2D-to-3D lifting process provides a transparent window into the model's representations: the resulting 3D reconstructions serve as an intuitive proxy for visualizing and diagnosing the quality of the model's intrinsic spatial knowledge. Extensive experiments across multiple models and benchmarks demonstrate the effectiveness of SpatialSV in enhancing and interpreting MLLMs' spatial intelligence. Furthermore, the framework exhibits strong generalization in semi-supervised settings, validating its potential to leverage unlabeled visual data for scalable, interpretable spatial representation learning.

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

Social Structure Matters in 3D Human-Human Interaction Generation

arXiv:2606.24255v1 Announce Type: cross Abstract: Although text-to-motion generation has achieved strong progress in synthesizing realistic single-person motions from language, extending it to text-driven 3D human-human interaction (HHI) remains non-trivial, as HHI requires modeling the underlying social structure that governs phase progression, actor roles, and inter-actor coordination. In this paper, we formulate HHI generation as a social structure modeling and grounding problem: the model must first infer how an interaction unfolds and how the two actors coordinate their roles, and then realize this structure as continuous, physically plausible, and partner-aware 3D motion. To study how such structure should be modeled, we first examine the capability boundary of large language models (LLMs) for HHI generation. Our analysis shows that LLMs can think by recovering phase decompositions and partner-aware roles, but cannot directly move, as they fail to generate dynamic, physically plausible, and interaction-aware motion. This motivates our planner-executor paradigm, Think with LLM, Move with Motion Skill. The LLM planner converts implicit interaction semantics into motion-aligned social supervision by decomposing interactions into phases, assigning partner-aware actor roles, and aligning them with motion sequence. The motion executor then grounds the planned social structure into coordinated two-person motion by adapting a pretrained solo motion model with LoRA, previous-phase self-conditioning, and ego-relative partner conditioning. Together, our Solo-to-Social framework bridges social organization and motion realization, producing 3D HHI with improved phase consistency, role alignment, and partner-aware coordination.

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

As Easy as Rocket Science: Assessing the Ability of Large Language Models to Interpret Negation in Figurative Language

Figurative language and negation are two areas that challenge current language models, however, both are widely used throughout written and spoken language. Large language models (LLMs) are also widely used in everyday contexts where they cannot necessarily be tuned for a specific dataset. It is therefore essential to understand the ability of LLMs to correctly interpret text that includes both negation and figurative language. To investigate this, we develop a set of new annotations to an existing dataset of figurative language, and test a range of language models on the dataset. We find that the combination of negation and figurativeness can present a particular challenge, and that performance overall and across different negation types is particularly dependent on the prompt style used.

04.
arXiv (CS.CV) 2026-06-19

Learning When to Denoise: Optimizing Asynchronous Schedules for Latent Diffusion

Multi-representation diffusion models can improve visual synthesis by denoising complementary views of an image, but their performance depends critically on the asynchronous schedule that determines when each representation is denoised. We propose to learn this schedule. Our method formulates asynchronous flow matching over multiple representation spaces and uses a schedule-corrected objective that keeps each representation's local noising-time weights fixed as the schedule changes. We instantiate the schedule with a flexible parametric class that is convex and monotone by construction, and learn it using a fast joint probe with less than 1% additional training compute. On ImageNet 256x256, the learned schedule substantially improves both convergence speed and final quality under a matched 675M-parameter XL backbone. With AutoGuidance, our 200-epoch model reaches FID 1.05, matching the 800-epoch SFD-XL baseline with 4x less training. Training to 600 epochs further improves to FID 1.02, outperforming the 1B-parameter SFD-XXL result of FID 1.04 while using a smaller model. In the unguided setting, our 200-epoch model reaches FID 2.37, already below the best 800-epoch SFD-XL result (2.54) at 4x less training, and improves to FID 2.14 at 600 epochs. Code is available at https://github.com/bsq532087/LWD

05.
arXiv (CS.LG) 2026-06-19

Mask-Morph Graph U-Net: A Generalisable Mesh-Based Surrogate for Crashworthiness Field Prediction under Large Geometric Variation

arXiv:2605.15231v2 Announce Type: replace Abstract: Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative. Message-passing GNNs are widely used for mesh simulation, and their shared node and edge update functions are relatively generalisable across varying graph structures. By contrast, non-shareable edge-specific aggregation layers can capture nonlinear relationships more accurately but usually require fixed graph connectivity, which limits generalisability. This paper presents Mask-Morph Graph U-Net (MMGUNet), a practical approach to addressing the limitation of hierarchical Graph U-Net architectures that use edge-specific downsampling and upsampling layers. Fixed coarse graph connectivity is required for edge-specific layers. To retain this while improving spatial correspondence, the proposed method morphs the coarsened graph hierarchy to each input mesh using feature-aligned barycentric parameterisation before constructing cross-graph edges. It further applies node masking during supervised pretraining, followed by parameter-efficient fine-tuning in which high-parameter edge-specific layers are frozen. The proposed approach is evaluated in in-distribution, out-of-distribution, and cross-component transfer settings using mean Euclidean distance and maximum intrusion percentage error. Results show that coarse-graph morphing improves test accuracy relative to a fixed-coarse-graph baseline, while masked supervised pretraining reduces the train-test discrepancy and improves data efficiency during transfer. The proposed model also achieves lower prediction error compared with external baselines. These results demonstrate a practical route toward reusable, data-efficient mesh-based surrogate modelling for crashworthiness design exploration.

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

Which Directions Matter? Sparse Design for Affine Robust Optimization

arXiv:2606.14648v1 Announce Type: new Abstract: Robust machine learning and optimization rely on the uncertainty model choice. We investigate which uncertainty directions a model must cover when defined by a finite dictionary and a budget constraint. Selecting a subset forms an atomic uncertainty set with a closed form support function, yielding tractable robust programs for affine objectives. We propose a data driven selection rule based on a coverage objective over evaluation directions, including gradients, adversarial perturbations, or shifts observed on held out data. We prove this objective is monotone and submodular, supporting a greedy method with a $(1-1/e)$ approximation guarantee and a matching hardness barrier. We also provide a certificate bounding the loss from the selected subset and a radius calibration rule with out of sample control.

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

Landsat-Sentinel-2 Algal Bloom Mapping Using Vision Transformers: Model Description, Implementation, and Examples

Coastal algal bloom monitoring requires frequent, spatially detailed, and globally consistent observations, provided by Landsat-8/9 and Sentinel-2 A/B/C. Together, these missions offer over a decade of medium-resolution multispectral imagery with near-global coverage every 2-3 days, enabling the detection of fragmented bloom structures not resolvable by coarse ocean-color sensors. However, their use in aquatic environments remains challenging due to limited spectral coverage and a lack of harmonized reflectance products. As an alternative to traditional bio-optical methods, deep learning-based image classification offers a data-driven approach that can overcome many of these limitations. This study presents the first successful implementation of vision transformer-based coastal algal bloom mapping using 30-m Landsat-Sentinel-2 images. A globally distributed bloom patch dataset was generated across bloom-prone coastal hotspots worldwide. Four transformer-based architectures were compared against a standard convolutional baseline for fine-scale bloom detection, and assessed under different optical water types and atmospheric and surface conditions. All deep learning models showed strong capabilities in detecting floating bloom areas, with omission and commission errors of 8-65%. Under cloud and glint stress in a time series, the Swin Transformer outperformed traditional spectral-index approaches, which produced widespread false positives, effectively avoiding cloud- and glint-affected pixels. Comparisons with MODIS-derived products further highlighted the benefits of higher spatial resolution in detecting fragmented and irregularly affected blooms. Our findings support deep learning as a reliable tool for medium-resolution, consistent monitoring of floating algal blooms in dynamic coastal environments.

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

Agentic AI-based Framework for Mitigating Premature Diagnostic Handoff and Silent Hallucination in Healthcare Applications

arXiv:2606.18068v1 Announce Type: new Abstract: Recent advances in Large Language Models (LLMs) and multi-agent systems have driven the rise of Agentic AI, showing promise for medical reasoning. However, open-ended conversational agents remain prone to two critical failure modes: premature diagnostic handoff and silent clinical hallucinations that may go undetected before reaching the patient. In this work, we propose a multi-agent framework that addresses both issues by replacing ``LLM-as-a-judge'' routing with deterministic orchestration constraints. The framework incorporates two safety mechanisms. First, a neuro-symbolic state-tracking gate enforces completeness of the OLDCARTS clinical protocol (Onset, Location, Duration, Character, Aggravating/Alleviating factors, Radiation, Timing, and Severity) by blocking diagnostic transitions until all required dimensions are collected. Second, an epistemic uncertainty quantification (UQ) gate computes semantic entropy (H) across K=5 independent diagnostic samples to identify and intercept divergent outputs before delivery. We evaluate the system using simulated patient agents powered by the llama-3.1-70b-instruct model on 150 test cases. The full architecture achieves 49.3% diagnostic precision, representing an absolute improvement of 11.3 percentage points over an unconstrained baseline. Additionally, we observe a statistically significant negative correlation (r = -0.181, p < 0.05) between OLDCARTS completeness (\sigma) and semantic entropy (H), suggesting that structured information gathering is associated with reduced diagnostic uncertainty.

09.
arXiv (math.PR) 2026-06-17

Poisson approximation by coupling

arXiv:2605.01894v2 Announce Type: replace Abstract: It is well known that a binomial $(n,p)$ can be approximated by a Poisson distribution with parameter $np$. The typical approach in undergraduate probability texts is to show a convergence result for the distribution of the binomial as $n$ goes to infinity and $np$ converges to some $\lambda$. In this note we use instead the coupling technique to show a much more general result. Moreover, we only use elementary results from probability.

10.
arXiv (CS.AI) 2026-06-24

TIP-Search: Time-Predictable Inference Scheduling for Market Prediction under Uncertain Load

作者:

arXiv:2506.08026v4 Announce Type: replace Abstract: Real-time market prediction services need correct predictions before a decision deadline; a correct prediction delivered late is not usable. TIP-Search studies time-predictable inference scheduling over fixed market predictors under uncertain load. It filters conformal latency-quantile feasible models, dispatches over finite workers, and uses shielded constrained online experts to trade accuracy, queue pressure, and deadline risk. On the optimized deployable pool, TIP-Search reaches 0.994 raw accuracy and 0.991 timely accuracy. On official TLOB FI-2010 h=10, TIP-Search++ raises timely accuracy from 0.156 to 0.239 and deadline satisfaction from 0.391 to 0.962. In matched h10 profiled systems replay, OCO-ACPO reaches 0.303 timely accuracy and 0.951 deadline satisfaction, with paired gains over RAMSIS/SneakPeek/utility-style comparators of $+0.00285$ timely accuracy ($p=0.0118$) and $+0.0146$ deadline satisfaction ($p=1.5{\times}10^{-5}$). SA-OCO-ACPO improves timely/deadline service by 0.188–0.417 over CPO under nonstationary stress. The claim is a systems scheduling result, not a broad LOB classifier leaderboard.

11.
arXiv (CS.CV) 2026-06-18

Hand-4DGS: Feed-Forward 3D Gaussian Splatting for 4D Hand Reconstruction from Egocentric Videos

Dynamic 3D hand reconstruction from egocentric videos is essential for next-generation computing platforms such as AR/VR and AI glasses. Despite its importance, most prior works focus either on multi-view 3D hand reconstruction or on 4D human body reconstruction. Egocentric 4D hand reconstruction remains challenging due to fast head motion, rapid hand dynamics, severe occlusions, and inherent ambiguity from single-view observations. To address these challenges, we introduce Hand-4DGS, the first feed-forward framework for reconstructing dynamic 4D hands directly from egocentric videos, enabling both fast (~60 FPS) inference and strong generalization. Our approach incorporates a mesh-guided representation for structural priors and temporal convolutions to model dynamic motion. We evaluate our framework on two challenging egocentric datasets, H2O and ARCTIC, and demonstrate significant improvements over baselines. Our method benefits from the generalization capability of feed-forward networks and effective 2D image supervision through Gaussian splatting, without requiring expensive 3D hand pose ground-truth annotations.

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

Visual enhancement and 3D representation for underwater scenes: a review

Underwater visual enhancement (UVE) and underwater 3D reconstruction pose significant challenges in computer vision and AI-based tasks due to complex imaging conditions in aquatic environments. Despite the development of numerous enhancement algorithms, a comprehensive and systematic review covering both UVE and underwater 3D reconstruction remains absent. To advance research in these areas, we present an in-depth review from multiple perspectives. First, we introduce the fundamental physical models, highlighting the peculiarities that challenge conventional techniques. We survey advanced methods for visual enhancement and 3D reconstruction specifically designed for underwater scenarios. The paper assesses various approaches from non-learning methods to advanced data-driven techniques, including Neural Radiance Fields and 3D Gaussian Splatting, discussing their effectiveness in handling underwater distortions. Finally, we conduct both quantitative and qualitative evaluations of state-of-the-art UVE and underwater 3D reconstruction algorithms across multiple benchmark datasets. Finally, we highlight key research directions for future advancements in underwater vision.

13.
arXiv (CS.LG) 2026-06-16

Formalizing and Mitigating Structural Distortion in LLM Attention for Zero-Shot Graph Reasoning

arXiv:2606.15633v1 Announce Type: new Abstract: Large Language Models (LLMs) have shown promise for reasoning over Text-Attributed Graphs (TAGs). However, applying LLMs to graphs requires linearizing their structure into sequences, introducing distortion rooted in the graph bandwidth problem. While this distortion has been shown to degrade performance, it is often attributed to prompt design or model scale, leaving the underlying mechanism unclear. In this work, we show how rotary positional embeddings turn graph linearization into bandwidth-dependent attention decay, suppressing attention between graph-adjacent nodes that are forced far apart in the serialized sequence. This shifts the focus of LLM-based graph reasoning from prompt engineering and scaling toward correcting attention misalignment. Motivated by this analysis, we propose Graph-aligned Language Attention (GaLA), a lightweight, inference-time modification for LLMs. GaLA biases attention toward graph-adjacent nodes while preserving the LLM's sequential inductive biases. Across TAG benchmarks, GaLA improves performance with negligible overhead, demonstrating that distortion is a correctable bottleneck in LLM-based graph reasoning.

14.
arXiv (CS.LG) 2026-06-11

Categorical Robustness Assessment for Machine Learning based Network Intrusion Detection Systems

arXiv:2606.12075v1 Announce Type: cross Abstract: Network Intrusion Detection Systems (NIDS) heavily utlize Machine Learning (ML) but ML models can be manipulated via adversarial attacks. These attacks add carefully crafted perturbations to network traffic data that leads to misclassifications. While prior work has demonstrated adversarial vulnerabilities in isolated settings, systematic cross-architecture as well as class and category of attack based comparisons under controlled attack conditions remain limited, leaving practitioners without clear guidance on which models to deploy in adversarial environments. This paper asks a simple question: what type of classifier architectures actually hold up when attackers try to manipulate the systems? We put three popular architectures through their paces: a 1D Convolutional Neural Network, a Long Short-Term Memory (LSTM) network, and a Random Forest (RF) ensemble. Using the ACI-IoT-2023 dataset (over 1.2 million samples spanning 12 attack types), we subject each model with FGSM and PGD adversarial attacks, which apply gradient-based perturbations in normalized feature space consistent with established adversarial ML evaluation protocols, at perturbation budgets ranging from $\epsilon=0.01$ to $\epsilon=0.1$. Surprisingly, Random Forest achieved near-perfect baseline accuracy (99.98\%), yet collapsed catastrophically under attack, dropping 73 percentage points at the smallest perturbation we tested. CNN, on the other hand, retained 95.5\% accuracy at $\epsilon=0.01$ and degraded gracefully as perturbations increased. LSTM fell somewhere in between. These findings flip the conventional wisdom where high baseline accuracy means nothing if a model shatters at the first sign of adversarial pressure. For practitioners deploying intrusion detection in adversarial environments, we recommend CNN-based architectures and provide scenario-specific deployment guidance.

15.
arXiv (CS.CV) 2026-06-18

HandwritingAgent: Language-Driven Handwriting Synthesis in Scalable Vector Space

Teaching machines to emulate natural handwriting styles remains an open challenge, as it requires synthesizing stroke sequences that dynamically vary in shape, texture, pressure and script - not only across individuals, but also within a single person's handwriting. Attempts at this challenge have largely explored deep learning methods in both online and offline settings. However, these approaches are often constrained by style-specific architectural choices, heavy reliance on large datasets, high compute costs, and a lack of flexible control over writing styles through natural language. To this end, we introduce HandwritingAgent, a language-driven agent that can synthesize natural handwriting sequences directly in Scalable Vector Graphics (SVG) format with no need for style-specific training. The agent leverages a large reasoning model to geometrically analyse and autoregressively generate target handwritten glyphs as stroke sequences in a discrete grid canvas environment. Generation is conditioned on texts provided in either conversational or non-conversational mode, along with a reference handwriting-style image. Experiments on diverse handwriting tasks spanning imitation, recognition, multi-lingual handwriting synthesis, and generation of complex handwritten maths and science expressions indicate substantial improvement in performance, with HandwritingAgent matching or surpassing state-of-the-art generative handwriting models, while providing a more efficient, controllable, and generalizable synthesis method.

16.
arXiv (CS.AI) 2026-06-18

Surrogate Benchmarks for Model Merging Optimization

arXiv:2509.02555v2 Announce Type: replace-cross Abstract: Model merging techniques aim to integrate the abilities of multiple models into a single model. Most model merging techniques have hyperparameters, and their setting affects the performance of the merged model. Because several existing works show that tuning hyperparameters in model merging can enhance the merging outcome, developing hyperparameter optimization algorithms for model merging is a promising direction. However, its optimization process is computationally expensive, particularly in merging LLMs. In this work, we develop surrogate benchmarks for optimization of the merging hyperparameters to realize algorithm development and performance comparison at low cost. We define two search spaces and collect data samples to construct surrogate models to predict the performance of a merged model from a hyperparameter. We demonstrate that our benchmarks can predict the performance of merged models well and simulate optimization algorithm behaviors.

17.
arXiv (CS.CV) 2026-06-11

What Semantics Survive the Connector? Diagnosing VLM-to-DiT Alignment in Video Editing

Flow matching based video generative models have been increasingly relying on prepended Vision-Language Models (VLMs) to handle complex, instruction-based video editing. The prevailing assumption underlying this paradigm is that a connector module can seamlessly align the VLM's rich multi-modal reasoning with the original text embedding space of DiTs. However, we hypothesize that this alignment acts as a severe semantic bottleneck, degrading fine-grained structural variables. Verifying this is challenging, as end-to-end evaluations conflate alignment failures with generation errors, and natural datasets lack disentangled annotations. To rigorously investigate this, we propose a controlled data processing pipeline based on video composition that results in TRACE-Edit, a diagnostic dataset focusing on relation-based editing. Leveraging this dataset, we propose a comprehensive diagnostic protocol to analyze two important designs of meta-query and connector in the existing video editing models. Systematic evaluation of four representative model cases reveals that fine-grained structural semantics can be severely degraded during alignment. Our findings overturn the assumption of lossless semantic transfer, identifying the VLM-to-DiT alignment as a major bottleneck and providing a new diagnostic foundation for future multi-modal alignment architectures.

18.
arXiv (CS.CV) 2026-06-16

Sinkhorn-CPD: Robust point cloud registration via unbalanced entropic optimal transport

Coherent Point Drift (CPD) is widely used for rigid point cloud registration because of its soft correspondences and closed-form parameter updates. However, CPD's target-side marginal constraint forces every observation, including outliers, to receive exactly unit probability mass. This assumption degrades registration accuracy under heavy outliers and partial overlap. Optimal transport (OT) methods can handle missing mass through unbalanced formulations, but require hand-tuned annealing schedules. In this paper, we propose Sinkhorn-CPD, which replaces CPD's target-side marginal constraint with dual Kullback-Leibler penalties, allowing the algorithm to discard outliers on both sides. The resulting formulation is a fully unbalanced entropic optimal transport problem, which can be efficiently solved by generalized Sinkhorn iterations. Moreover, Sinkhorn-CPD preserves the closed-form Procrustes and variance updates of CPD. In our method, the variance sigma^2 plays the role of the entropic regularization parameter, which induces an automatic annealing schedule from diffuse to sharp correspondences without manual temperature tuning. Experiments on synthetic, cross-category, and scan-to-CAD benchmarks show that Sinkhorn-CPD achieves state-of-the-art accuracy, with strong robustness to outliers and partial overlap.

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

Distribution-Agnostic Robust Trajectory Optimization via Chance-Constrained Reinforcement Learning

arXiv:2606.13605v1 Announce Type: cross Abstract: This paper presents a distribution-agnostic robust trajectory-optimization framework based on chance-constrained reinforcement learning. The uncertainty is represented here through initial conditions and process noise, with the only requirement being that it can be sampled. A deterministic nominal trajectory is first computed offline, and reinforcement learning is then used only to robustify that baseline through a structured affine closed-loop correction law comprising a feedforward control adjustment and time-varying feedback gains. Probabilistic feasibility is enforced empirically through rollout-based upper-tail quantiles, while terminal dispersion is regulated through covariance-feasibility penalties. The framework is assessed on two materially different trajectory design problems. The flagship case study is a three-dimensional multi-impulse Earth-Mars transfer, where the learned policy is benchmarked against a recent robust trajectory-optimization reference under Gaussian uncertainty and then evaluated under bounded uniform uncertainty and under process disturbances not seen during training. The second case study is a stochastic atmospheric pinpoint rocket landing problem, used to assess portability to a short-horizon continuous-thrust setting with drag, mass depletion, and glide-slope constraints. The results show that the proposed framework can remain competitive in upper-tail fuel cost while preserving probabilistic feasibility, and that the same robustification scaffold can be carried across heterogeneous spacecraft trajectory planning problems without redesign of its core stochastic-control structure.

20.
arXiv (CS.CV) 2026-06-12

Masked and Predictive Self-Supervised Foundation Models for 3D Brain MRI

Self-supervised foundation models have shown strong promise in medical imaging. However, existing MRI foundation-model studies have primarily emphasized segmentation and dense prediction tasks, while systematic investigation of self-supervised foundation models for MRI-based disease detection remains limited. In this work, we investigate two major self-supervised pretraining paradigms for MRI-based disease detection: reconstruction-based learning via Masked Autoencoders (MAE) and predictive representation learning via Joint Embedding Predictive Architectures (JEPA). We study the role of auxiliary objectives by introducing a novel spectral-domain reconstruction loss for MAE to enhance sensitivity to fine-grained anatomical structure, and by integrating variance–covariance regularization (VCR) within our JEPA framework to encourage decorrelated latent representations. Our models are pretrained on heterogeneous single-contrast MRI volumes in a contrast-agnostic setting, without modality concatenation. Across five downstream disease detection tasks, our results highlight the importance of self-supervised objective design for medical foundation model pretraining, demonstrating that the downstream benefit of each objective is determined by its relevance to the task's structure. Specifically, spectral regularization yields the largest improvements when the downstream discriminative signal is characterized by strong high-frequency anatomical structures, while covariance regularization is most beneficial when discriminative information spans multiple decorrelated feature dimensions. MAE with spectral-domain supervision consistently achieves superior downstream performance for MRI-based disease detection. These findings suggest that self-supervised objectives in medical imaging encode specific biases, and their downstream benefit is fundamentally conditioned on the task's structure.

21.
arXiv (CS.LG) 2026-06-12

Uncertainty Estimation for Molecular Diffusion Models

arXiv:2606.13451v1 Announce Type: new Abstract: Diffusion models have seen wide adoption for 3D molecular generation, yet they offer no principled signal of when a generated molecule is likely to be of low quality. We propose a post-hoc method for estimating per-sample uncertainty in pretrained molecular diffusion models. Building on a Laplace approximation of the denoising network, we measure the variability of the noise prediction across the generation trajectory. Empirically, we show that the resulting uncertainty score is informative of sample quality, exhibiting a negative correlation with established sample-level quality metrics. We further study how the proposed uncertainty score can be used to filter generated samples, improving model performance via test-time scaling.

22.
medRxiv (Medicine) 2026-06-17

Characterisation of disease progression in hantavirus haemorrhagic fever with renal syndrome

Hantaviruses can cause haemorrhagic fever with renal syndrome (HFRS). This is a clinically variable disease in which severe outcomes are hypothesized to arise from dysregulated host responses. To characterise this, longitudinal, label-free plasma proteomics was used to compare disease progression in a unique well-defined cohort of patients infected with either Dobrava virus (DOBV) or Puumala virus (PUUV) hantaviruses. Patients were stratified by clinical severity. The average viral load in the first available sample from hospitalized patients was higher in those who went on to have severe infection, and higher in patients infected with DOBV. There was marked separation of infected patients from controls across early, mid and late disease, including after viral RNA clearance, suggesting a sustained systemic host-response signature. Proteomic signatures were consistent with a strong acute-phase response in both mild and severe disease. There was evidence of activation of the adaptive humoral response at later stages. Hierarchical clustering identified severity-associated pathways linked to endothelial dysfunction, thrombocytopenia, vascular leakage and renal injury. These findings define a durable plasma proteomic signature of hantavirus disease and support a model in which severe HFRS is driven by persistent inflammatory, complement and platelet/coagulation pathway activation rather than viral burden alone.

23.
arXiv (CS.CL) 2026-06-11

Notes2Skills: From Lab Notebooks to Certainty-Aware Scientific Agent Skills

Scientific discovery workflows usually contain and rely heavily on lab notes, where researchers record observations, interpret uncertain results, and plan follow-up experiments. Such informative lab notes preserve evolving scientific reasoning and author uncertainty, rather than polished final results exhibited in publications, providing a valuable opportunity for AI to engage in scientific exploration at a more comprehensive and deeper level. However, most prior work on scientific text focuses on papers, protocols, or structured databases, leaving informal laboratory notes underexplored as inputs to AI agents for science. This gap matters because lab notes often intermingle validated observations, tentative judgments, and possible experimental next steps within the same passage. If these signals are conflated, an AI agent may mistake uncertain scientific judgments for confirmed conclusions or executable actions. To this end, we present Notes2Skills, a two-stage framework for turning lab notebooks into verifiable skills for scientific AI agents while preserving the author's certainty. Across seven conditions and three wet-lab sessions, Notes2Skills is the only configuration that neither mistakes uncertain notes for firm instructions nor discards firm ones. We show that certainty preservation is the missing piece between lab notebooks and reliable agent skills, opening a path toward safer AI co-scientist systems.

24.
arXiv (CS.CV) 2026-06-12

Unified MRI Brain Image Translation via Hierarchical Tumor Structure Comparison

Multi-modal MRI brain image translation via available modalities holds significant practical importance in modern medicine, providing robust support for early diagnosis, treatment planning, and outcome assessment of diseases. For this purpose, it is important to ensure the fidelity of the tumor regions after translation. However, existing brain image translation methods ignore the structure information of different tumor regions, which could assist translation models in enhancing the quality and clinical applicability of the translated images. In this work, we propose a novel translation model called HTSCGAN, which is a unified multi-modal brain image translation generative adversarial model integrating the structural information within tumor regions with the aim of improving the quality of brain image translation. Specifically, the generator employs three Patch Contrast Module (PCM) with different patch sizes to capture the hierarchical structural information of the tumor regions. In addition, a pretrained Patch Classifier (PC) and a pretrained Structure-Aware Encoder (SAE) are employed to derive the generated image containing the same tumor region structure as the ground truth image via patch classification loss and tumor perceptual loss, respectively. The experiments on BraTS2020 and BraTS2021 demonstrate strong performance of our model in both translation tasks and down stream segmentation tasks, highlighting its effectiveness in enhancing the quality and clinical relevance of the translated brain images. Our code is available at https://anonymous.4open.science/r/HTSCGAN.

25.
arXiv (CS.CV) 2026-06-17

SPATIA: Multimodal Generation and Prediction of Spatial Cell Phenotypes

Understanding how cellular morphology, gene expression, and spatial context jointly shape tissue function is a central challenge in biology. Image-based spatial transcriptomics technologies now provide high-resolution measurements of cell images and gene expression profiles, but existing methods typically analyze these modalities in isolation or at limited resolution. We address the problem by introducing SPATIA, a multi-level generative and predictive model that learns unified, spatially aware representations by fusing morphology, gene expression, and spatial context from the cell to the tissue level. SPATIA also incorporates a spatially conditioned generative framework with confidence-aware OT reweighting and morphology-profile alignment for modeling target-state morphology distributions. Specifically, we propose a confidence-aware flow matching objective that reweights weak optimal-transport pairs based on uncertainty. We further apply morphology-profile alignment to encourage biologically meaningful image generation, enabling the modeling of microenvironment-dependent phenotypic transitions. We assembled a multi-scale dataset consisting of 25.9 million cell-gene pairs across 17 tissues. We benchmark SPATIA against 18 models across 12 tasks, spanning categories such as phenotype generation, annotation, clustering, gene imputation, and cross-modal prediction. SPATIA achieves improved performance over state-of-the-art models, improving generative fidelity by 8% and predictive accuracy by up to 3%.