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01.
arXiv (CS.CV) 2026-06-11

Lighting-aware Unified Model for Instance Segmentation

Foundation models like the Segment Anything Model (SAM) demonstrate impressive zero-shot generalization but frequently degrade under diverse real-world illumination, particularly for instance segmentation. In this work, we address this limitation by developing Lighting Convolutional-Attention (\lca{)}, an adapter module that enhances segmentation robustness without fine-tuning the heavy backbone. \lca{} employs a dual-branch architecture to process RGB features alongside contrast maps, enabling physically motivated sensitivity to structural changes rather than illumination artifacts. We optimize \lca{} through a pairwise training strategy, introducing a targeted loss term that explicitly penalizes discrepancies between clean images and their corresponding illumination variants. To evaluate and support this architecture, we conduct a comprehensive empirical study across multiple existing benchmarks and present a novel Unity-based synthetic dataset specifically designed to accurately replicate complex real-world lighting conditions. Extensive experimental results demonstrate that our approach successfully bridges the domain gap, delivering superior lighting-robust segmentation.

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

A Simplex Witness Certificate and Escape Force for Constant Collapse in Variational Autoencoders

arXiv:2605.18224v4 Announce Type: replace-cross Abstract: We study exact constant collapse in variational autoencoders: the deterministic encoder mean becomes independent of the input. The prior remains the standard Gaussian. Before VAE training, we select a fixed teacher posterior from a GMM-based view of the data and attach a fixed latent-only simplex witness to the encoder mean. This construction yields two linked objects. The first is a certificate: if the witness prediction improves on the best constant predictor of the teacher, the encoder mean cannot be input-independent constant. The second is a local escape direction: on the collapsed manifold, the teacher residual gives a sample-dependent descent direction for the alignment loss. For any full-support teacher posterior, the same geometry also gives a closed-form latent code with zero teacher-witness alignment error. Its scaled versions trace a margin-energy path from the constant predictor to the exact teacher code, which quantifies non-collapse inside the protected witness subspace. We instantiate the method on MNIST, CIFAR-10, and CIFAR-100. With searched unsupervised PCA-GMM teachers, vanilla VAEs fail the teacher-witness certificate in all five seeds on CIFAR-10 and CIFAR-100, while RST variants pass in all five seeds. Under collapse-stress settings with \(\beta_{\mathrm{KL}}\in\{2,4,8\}\), vanilla VAE again fails in all seeds, whereas RST-alpha-prefit remains certificate-positive. Escape trajectories on both natural-image datasets increase the witness margin from a low-margin initialization and exhibit nonzero teacher-induced gradient norms. The analysis is confined to exact constant collapse of the encoder mean; generation quality, decoder use, and other collapse modes remain separate questions.

03.
arXiv (math.PR) 2026-06-15

On a stochastic phase-field model of cell motility with singular diffusion

arXiv:2601.05881v2 Announce Type: replace Abstract: We study existence of solutions in the variational sense for a class of stochastic phase-field models describing moving boundary problems. The models consist of stochastic reaction-diffusion equations with singular diffusion forced by a phase-field. We investigate both the case of an independently evolving phase-field and of coupled phase-field evolution driven by a viscous Hamilton-Jacobi equation. Such systems are used in the modelling of single-cell chemotaxis, where the contour of the cell shape corresponds to a level set of the phase-field. The technical challenge lies in the singularities at zero level sets of the phase-field. For large classes of initial data, we establish global existence of probabilistically weak solutions in $L^2$-spaces with weights which compensate for the singularities.

04.
arXiv (CS.CL) 2026-06-12

Understanding helpfulness and harmless tension in reward models

Reward models are a key component of reinforcement learning from human feedback (RLHF), aligning language models toward both helpful and harmless behaviour. However, the internal mechanisms underlying these objectives and their conflicts remain poorly understood. We study alignment tension in reward models trained under helpfulness-only, harmlessness-only, and mixed-objective settings. We find that mixed-objective models often underperform single-objective models, indicating interference between objectives. Using activation-based methods, we identify neurons associated with each objective and study their functional roles via targeted ablations. We find that these neurons causally support their corresponding objectives while often negatively affecting the opposing one. We find that a substantial proportion of neurons are shared between helpfulness and harmlessness, and that these shared neurons exert a disproportionate influence on model behaviour, contributing to alignment tension. Additionally, our results provide insights and mechanistic interpretation into how alignment objectives are represented in reward models and why multi-objective alignment remains challenging, motivating future work on disentangled and controllable alignment methods.

05.
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.

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

ReportQA: QA-Based Radiology Report Evaluation

Radiology report evaluation is essential for advancing automated report generation. Natural language generation metrics have limited clinical relevance. Clinical efficacy (CE) metrics evaluate important medical findings, but focus mainly on presence and cover only a limited set of entities. Due to heavy reliance on manual annotations, it is difficult for CE metrics to extend clinical entities or attributes. In clinical practice, radiology reports serve as a medium for information transfer. Clinicians use them to perform downstream diagnostic tasks without directly inspecting images. Based on this insight, we propose ReportQA, a clinical-related and flexible radiology report evaluation framework, supporting detailed quantitative analysis of radiology report generation systems. We first collect datasets covering multiple imaging modalities and anatomical regions. We then construct knowledge trees of clinical entities and attributes with radiologist guidance, and use large language models (LLMs) to extract structured information from raw reports. Next, we generate QA pairs from predefined templates and apply quality control through self-filtering and report-based filtering. During evaluation, the report is treated as context, and an LLM acts as a judge model to answer the QA pairs. Based on the resulting QA accuracy, we introduce QAScore metric. Compared with existing metrics, QAScore shows better alignment with radiologist judgments. Experiments on multiple state-of-the-art vision-language models reveal that current report-based inference paradigms struggle to learn fine-grained clinical representations and exhibit strong negative prior biases. In contrast, question-driven inference provides a more effective alternative. For reproducibility and extensibility, we release the knowledge trees, structured reports, and QA pairs, along with the pipeline code for QA construction and evaluation.

07.
arXiv (quant-ph) 2026-06-24

Fermi surface change and $d$-wave superconductivity in the square lattice Kondo-Heisenberg model

arXiv:2606.23799v1 Announce Type: cross Abstract: We study the two-dimensional Kondo-Heisenberg model on a square lattice, with the conduction electrons away from half-filling, using neural network quantum states. Mapping the ground-state phase diagram as a function of the Kondo and Heisenberg couplings, we identify (i) at weak Kondo coupling, antiferromagnetic Néel order with a Fermi surface whose enclosed area counts only the conduction electrons and is insensitive to the Néel order, and (ii) at strong coupling, a heavy Fermi liquid with a Fermi surface whose enclosed area counts both the conduction electrons and the spins. In the crossover between these regimes, we find $d_{x^2-y^2}$ superconductivity, evidenced by off-diagonal long-range order in the pair-pair correlations and a pairing-amplitude dome that coexists with the underlying magnetic phase. Our results establish Fermi volume change and unconventional superconductivity as intrinsic features of the two-dimensional Kondo-Heisenberg model.

08.
arXiv (CS.LG) 2026-06-24

PROTECT-90: A Fault Dataset for Power System Protection

arXiv:2606.24298v1 Announce Type: cross Abstract: The increasing interest in data-driven methods for power system protection is accompanied by a lack of standardized, publicly available high-voltage waveform datasets that enable transparent and reproducible evaluation. To address this gap, this paper introduces the PROTECT-90 dataset, an open electromagnetic transient (EMT)-simulated reference benchmark for high-voltage fault studies with consistent digital-fault-recorder-like measurements, publicly released with this work. The dataset comprises 9,022 physically consistent short-circuit simulation episodes generated on a standardized 90 kV double-line topology with systematically documented domain randomization of grid operating points, line parameters, and fault conditions. For each episode, synchronized three-phase voltage and current waveforms are recorded at eight measurement locations and released together with structured, machine-readable metadata describing fault type, fault location, inception time, and operating conditions. All modeling assumptions, parameter ranges, and data-generation procedures are explicitly documented to ensure transparency and cross-study comparability. By combining physically grounded EMT simulation, balanced scenario coverage, and open accessibility, PROTECT-90 establishes a standardized foundation for reproducible benchmarking of protection-oriented signal processing and learning-based methods.

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

Accelerating Speculative Diffusions via Block Verification

arXiv:2606.13426v1 Announce Type: new Abstract: Speculative decoding speeds up LLM inference by using a draft model to generate tokens, with an acceptance-rejection scheme that ensures that the output matches the target distribution. Adapting this to continuous diffusions is difficult because speculative sampling requires drawing from a residual distribution. While straightforward in discrete spaces, efficiently sampling this residual in continuous space is non-trivial. Consequently, existing diffusion adaptations either use computationally inefficient sampling techniques or rely on an alternative scheme. In this work, we introduce a novel scheme that efficiently implements the original speculative sampling mechanism for diffusion models. Our approach offers a critical advantage over current methods: it enables us to adapt block verification from LLMs to diffusions – which provably improves the acceptance rate of drafts. Furthermore, we formalize and analyze the Free Drafter, a heuristic self-speculative drafter for diffusions that requires no training. By enabling block verification, our Free Drafter yields up to a 6.3% speedup over existing speculative methods with no additional training and negligible overhead beyond the existing parallel verification pass.

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

Topological Neural Dynamics: A Neuron-wise Framework for Sequence Modeling

arXiv:2606.21295v2 Announce Type: replace-cross Abstract: Existing sequence models, including RNNs, LSTMs, continuous-time networks, and Transformers, share a common structural principle: layer-wise dynamics, where all neurons in the same layer co-evolve through a shared parameterized operator, leaving individual neurons no freedom to evolve independently. Yet in many complex dynamical systems, rich global behavior emerges precisely from locally evolving units interacting through structured connectivity. Inspired by this principle, we introduce Topological Neural Dynamics (TND), a sequence modeling framework that shifts computation from layer-wise to neuron-wise dynamics. TND represents a neural system as a directed neuron graph, an interaction operator, and a local dynamics function, where each neuron evolves independently and collective computation emerges from interactions through the explicit graph topology. We instantiate TND as a discrete-time graph-coupled dynamical system and evaluate it as a case study on a behavior cloning task in single-player Pong. Compared with Vanilla RNN, Sparse RNN, LSTM, Closed-form continuous-time neural network (CfC), and Transformer baselines, TND achieves the best catch rate and a mean of 17.47 consecutive catches per round, more than three times that of the strongest baseline. These results suggest that shifting from layer-wise to neuron-wise dynamics provides an effective inductive bias for sequence modeling.

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

XRDiff: Crystal Structure Prediction from Powder X-Ray Diffraction Data Using Diffusion Models

arXiv:2606.14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science. PXRD is an accessible and widely used characterization technique, yet recovering the atomic structure from diffraction data requires solving an underdetermined inverse problem due to the loss of phase information. Generative modeling can provide a prior over atomic structure and learn the mapping from PXRD patterns to crystal structures via simulated structure-spectrum pairs. We present XRDiff, a diffusion model that recovers crystal structures from PXRD given either the stoichiometry or, in a more challenging setting, the elemental constituents and total number of atoms in the unit cell. We evaluate on datasets where each stoichiometry has multiple polymorphs and all polymorphs of a given composition are held out together, ensuring that high performance reflects genuine use of the diffraction signal. XRDiff achieves strong structure recovery rates on simulated benchmarks, indicating that the model learns a spectrum-to-structure mapping precise enough to differentiate between polymorphs. To address generalization to experimental data, we compare a full-spectrum encoding against an encoding based on peak descriptors. The peak-based encoding generalizes substantially better, outperforming even a model trained on full spectra with augmentations fitted to the experimental noise distribution. These results demonstrate that representations robust to the noise and artifacts present in real-world PXRD offer a practical and scalable path toward closing the simulation-to-experiment gap, enabling zero-shot crystal structure solution from experimental PXRD with full or partial chemical composition input.

12.
arXiv (quant-ph) 2026-06-24

When does dissipation help neural surrogates learn open quantum dynamics?

arXiv:2606.23894v1 Announce Type: new Abstract: Dissipation is usually viewed as an obstacle to predicting quantum dynamics, yet it can also contract trajectories toward steady states and thereby suppress accumulated prediction errors, leaving it unclear whether dissipation ultimately helps or hinders the learnability of open quantum dynamics. We investigate this question using Neural Ordinary Differential Equation (NODE) surrogates for open Heisenberg XYZ spin chains. Closed-system learnability deteriorates rapidly with system size, culminating in a static-prediction collapse at four qubits; dissipation reverses this trend, creating a broad high-fidelity regime at intermediate system sizes, while at four qubits a fidelity-aware objective recovers learnable rollout structure that is absent under closed-system training. Comparison against static and steady-state baselines reveals that dissipation improves performance through two fundamentally different mechanisms: at weak-to-moderate dissipation the surrogate captures nontrivial transient dynamics and substantially outperforms trivial predictors, whereas at stronger damping high fidelity increasingly reflects trajectory simplification toward the steady state rather than improved learned dynamics. These results show that dissipation can enhance the learnability of open quantum dynamics, but that fidelity alone is insufficient to distinguish genuine dynamical learning from steady-state trivialization: dissipative contraction and trajectory simplification are distinct effects that peak in different regimes and should be disentangled when evaluating learned quantum-dynamical surrogates.

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

Discriminative Span as a Predictor of Synthetic Data Utility via Classifier Reconstruction

In many real-world computer vision applications, including medical imaging and industrial inspection, binary classification tasks are characterized by a severe scarcity of positive samples. A widely adopted solution is to generate synthetic positive data using image-to-image transformations applied to negative samples. However, a fundamental challenge remains: how can we reliably assess whether such synthetic data will improve downstream model performance? In this work, we propose a geometry-driven metric that predicts the utility of synthetic data without requiring model training. Our approach operates in the embedding space of a pre-trained foundation model and represents the dataset through difference vectors between samples. We evaluate whether the weight vector of a linear classifier can be expressed within the subspace spanned by these variations by measuring the relative projection error. Intuitively, if the variations induced by synthetic data capture task-relevant directions, their span can approximate the classifier, resulting in low projection error. Conversely, poor synthetic data fails to span these directions, leading to higher error. Across multiple datasets and architectures, we show that this metric exhibits strong correlation with downstream classification performance of CNNs trained on mixtures of real negative and synthetic positive data. These findings suggest that the proposed metric serves as a practical and informative tool for evaluating synthetic data quality in data-scarce settings.

14.
arXiv (quant-ph) 2026-06-11

Circulators Based on Coupled Quantum Anomalous Hall Insulators and Resonators

arXiv:2505.07770v2 Announce Type: replace Abstract: Integrated plasmonics is advancing rapidly, enabling a wide range of functionalities to be incorporated onto a single chip. Applications span information processing, computation, quantum sensing, and dark-matter detection. This progress has driven the development of integrated non-reciprocal devices, which are essential for preventing unwanted feedback that can degrade system performance. While non-reciprocal devices have been realized in edge magnetoplasmon materials via classical interference effects, their operation is often limited by the input power range. Here, we demonstrate that topological circulators utilizing asymmetric coupling offer improved input power range, isolation, and insertion loss. In this configuration, we demonstrate the coupling between a chiral edge magnetoplasmonic resonator and a pair of LC resonators is well described by an effective non-Hermitian two-site Hatano-Nelson model with asymmetric directional couplings, resulting in nonreciprocal behavior. The coherent photon-plasmon interaction enables a circulator with up to 50 dB of isolation across a broad range of excitation power. These results suggest that magnetic topological insulators provide a promising platform for realizing asymmetric non-Hermitian couplings at radio frequencies and for exploring regimes of strong directional suppression and possible exceptional-point physics. More broadly, they highlight the potential of topological-material-based microwave devices for future integration with superconducting quantum information platforms.

15.
bioRxiv (Bioinfo) 2026-06-11

HoloCell: A Generative Foundation Model for Holistic Cellular Modeling

Single-cell multi-omics technologies have recently advanced to enable the profiling of epigenomic, transcriptomic, and proteomic layers within individual cells, offering new opportunities to characterize cellular states as integrated biological systems. However, developing a unified framework that can seamlessly integrate diverse omics modalities and remain robust to heterogeneous modality missingness remains challenging. Here we present HoloCell, to our knowledge the first generative foundation model for joint representation learning and generative modeling across all three major single-cell omics modalities, i.e., epigenomics, transcriptomics, and proteomics. HoloCell contains over 860 million parameters and is pretrained on the Human-Multi-Omics-Corpus, which comprises approximately 468 million single-cell profiles across these three omics layers, corresponding to over 425 billion tokens. HoloCell introduces a simple yet biologically grounded hierarchical tokenization strategy that encodes cis-regulatory elements, genes, and proteins as structured tokens within a shared modeling framework. We evaluated HoloCell across single-omics representation learning, paired multi-omics integration, unpaired multi-omics alignment, and cross-modal generation via iterative diffusion and remasking, demonstrating its superior performance and flexibility across diverse omics tasks. From a representation perspective, HoloCell provides a unified digital mapping of cellular states across multiple omics layers, capturing cell heterogeneity as an integrated system. From a generation perspective, its iterative diffusion and remasking framework accounts for the inherently unordered nature of biological features, enabling in silico simulation of multi-omics information flow. Together, these capabilities position HoloCell as a versatile foundation model toward the emerging concept of a virtual cell, offering both systematic characterization and generative simulation of cellular systems within a unified framework.

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

Subjective-Graph LLM Agents for Simulating Uncertainty in Classroom Social Perception

arXiv:2603.20750v2 Announce Type: replace Abstract: Social actors do not observe a common social world: each individual forms judgments from a partial and potentially distorted view of the surrounding network. We study whether graph-local evidence and credibility-weighted communication can generate persistent distortions in perceived academic standing, even when agents repeatedly receive objective performance signals. We introduce a data-constrained multi-agent framework in which LLM agents operate through individualized subjective graphs that determine peer visibility, evidence access, and interaction opportunities. Agents exchange uncertainty-annotated assessments, evaluate message credibility, and maintain explicit Gaussian belief states updated through Bayesian fusion. We evaluate the framework on 12 middle-school classrooms comprising 482 students, using questionnaire-derived social information and six consecutive examinations. On the Social-Observed subset (n=419), collective ranking error increases from 0.066 \pm 0.008 to 0.124 \pm 0.009 across six epochs despite repeated exam-based anchoring. Ablations associate individualized visibility and LLM-based trust gating with more stable long-horizon behavior, while constrained retrieval primarily safeguards against global-information leakage. Compared with evaluated DeGroot configurations, the proposed framework achieves lower final ranking error; those DeGroot configurations exhibit near-zero terminal opinion diversity. These findings establish subjective-graph LLM agents as a mechanism-oriented framework for data-constrained simulated social perception. Code is available at https://anonymous.4open.science/r/Rashomonomon-0126.

17.
arXiv (CS.AI) 2026-06-19

Superhuman Safe and Agile Racing through Multi-Agent Reinforcement Learning

arXiv:2605.22748v2 Announce Type: replace-cross Abstract: Autonomous systems have achieved superhuman performance in isolation or simulation, yet they remain brittle in shared, dynamic real-world spaces. This failure stems from the dominant single-agent paradigm for physical applications, where other actors are ignored or treated as environmental noise, preventing effective coordination. Here we show that multi-agent reinforcement learning provides the essential safety scaffolding required for real-world interaction. Using high-speed quadrotor racing as a high-stakes testbed, we train agents to navigate complex aerodynamic interactions and strategic maneuvering with a variable number of racers. Through league-based self-play, agents evolve sophisticated anticipatory behaviors, including proactive collision avoidance, overtaking, and handling multi-agent physical interactions, including aerodynamic downwash. Our agents outperform a champion-level human pilot in multi-player races at speeds exceeding 22 m/s, while simultaneously reducing collision rates by 50 % compared to state-of-the-art single-agent baselines. Crucially, training with diverse artificial agents enables zero-shot generalization to safer human interaction. These results suggest that the path to robust robotic co-existence lies not in isolated safety constraints, but in the rigorous demands of multi-agent interaction. Multimedia materials are available at: https://rpg.ifi.uzh.ch/marl

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

Polaris: A Godel Agent Framework for Small Language Models through Experience-Abstracted Policy Repair

arXiv:2603.23129v3 Announce Type: replace Abstract: Gödel agent realize recursive self-improvement: an agent inspects its own policy and traces and then modifies that policy in a tested loop. We introduce Polaris, a Gödel agent for compact models that performs policy repair via experience abstraction, turning failures into policy updates through a structured cycle of analysis, strategy formation, abstraction, and minimal code pat ch repair with conservative checks. Unlike response level self correction or parameter tuning, Polaris makes policy level changes with small, auditable patches that persist in the policy and are reused on unseen instances within each benchmark. As part of the loop, the agent engages in meta reasoning: it explains its errors, proposes concrete revisions to its own policy, and then updates the policy. To enable cumulative policy refinement, we introduce experience abstraction, which distills failures into compact, reusable strategies that transfer to unseen instances. On MGSM, DROP, GPQA, and LitBench (covering arithmetic reasoning, compositional inference, graduate-level problem solving, and creative writing evaluation), a 7-billion-parameter model equipped with Polaris achieves consistent gains over the base policy and competitive baselines.

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

LoLA: Low-Rank Linear Attention With Sparse Caching

The per-token cost of transformer inference scales with context length, preventing its application to lifelong in-context learning. Linear attention is an efficient alternative that maintains a constant memory footprint, even on infinite context lengths. While this is a potential candidate for lifelong learning, it falls short in memory capacity. In this paper, we propose LoLA, a training-free augmentation to linear attention that boosts associative recall. LoLA distributes past key-value pairs from context into three memory systems: (i) recent pairs in a local sliding window cache; (ii) difficult-to-memorize pairs in a sparse, global cache; and (iii) generic pairs in the recurrent hidden state of linear attention. We show through ablations that our self-recall error metric is crucial to efficiently manage long-term associative memories. On pass-key retrieval tasks, LoLA improves the base model's performance from 0.6% to 97.4% accuracy. This is achieved with a 4.6x smaller cache than Llama-3.1 8B on 4K context length. LoLA also outperforms other 1B and 8B parameter subquadratic models on zero-shot commonsense reasoning tasks.

20.
bioRxiv (Bioinfo) 2026-06-13

Reinforcement learning-driven unified generative framework for multi-objective RNA codon design

Current RNA codon design methods are limited by inefficient long-sequence processing and poor generalizability, often relying on a decoupled "generate-or-optimize" paradigm. We introduce RNARL, a reinforcement learning-driven framework that unifies sequence generation with multi-objective optimization. RNARL directly learns to generate high-performance sequences, effectively optimizing sequences over 3,900 nucleotides and demonstrating superior performance and universality across six species and five RNA types. RNARL thus establishes an effective and generalizable framework for RNA codon design. Finally, a user-friendly web platform is freely available to facilitate its application for RNA therapeutic design.

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

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

22.
medRxiv (Medicine) 2026-06-11

Computer Vision Scoring of Figure Copy and Recall

Objective. Figure copy and recall tests are sensitive measures of visuoconstruction and visual episodic memory, but their clinical is constrained by labor-intensive manual scoring. We developed and validated an automated, element-level scoring pipeline using Vertex AI object detection for the tablet-based figure copy and recall tasks in the California Cognitive Assessment Battery (CCAB). The automated scoring pipeline duplicated the scoring procedures used by expert manual raters. Methods. A normative sample of 2,011 community-dwelling adults aged 18-90 completed figure copy and delayed recall trials at baseline, with subsamples retested at 1 day and at 6, 18, and 30 months. Participants completed the drawings with their index finger on a tablet computer with finger position digitized to analyze the speed and timing of individual drawing strokes A convolutional object-detection model trained on the Vertex AI AutoML Vision platform identified each of twelve canonical figure elements in rendered drawings. Separate element presence and location scores were computed after homographically warping drawings onto a canonical template to produce trial-level Element, Location, and Total scores. To compare Vertex and human scores, Vertex AI and expert human raters independently scored 1500 randomly selected drawings to evaluate inter-rater agreement, including a common subset of 100 drawings scored by Vertex AI and all raters. Results. Total scores were virtually indistinguishable (r = 0.966) from human-human agreement (mean r = 0.971) as were Element presence scores (mean r = 0.959 vs. r = 0.963). Location-score agreement (r = 0.951) was slightly below the human-human mean (r = 0.972) due to pixel-level analysis by Vertex AI that was impossible for human raters. The Vertex pipeline showed no preferential advantage for the single expert rater who categorized Elements during training. Automated scores showed strong demographic gradients, age effects on Recall (r = -0.32) were approximately twice those in Copy conditions (r = -0.16). A Memory Cost score (Recall - Copy) showed a monotonic age-related decline from +0.40 z in the youngest subjects to -0.54 z in the oldest. Kinetic analysis revealed that drawing speed and efficiency showed significant age-related changes. Overnight test-retest reliability was high (Recall r = 0.72) and the Recall trial showed a large overnight learning effect ({Delta} = +1.18) that continued with repeated tests up to 30 months ({Delta} = +0.75).

23.
arXiv (CS.CV) 2026-06-17

Revisiting LLM Adaptation for 3D CT Report Generation: A Study of Scaling and Diagnostic Priors

Recent advances in multimodal learning, including large language models (LLMs) and vision-language models (VLMs), have demonstrated strong adaptability to natural images. However, extending their use to the medical domain, particularly for volumetric (3D) images, is challenging due to high computational complexity, volumetric dependencies and the semantic gap between visual features and clinical terminology. Naively fine-tuning LLMs on limited medical data often leads to overfitting and clinical hallucination, where linguistic fluency is prioritized over clinical factuality. In this study, we investigate parameter-efficient adaptation strategies for volumetric CT report generation and introduce RAD3D-Prefix, a lightweight diagnostic-prior conditioning framework that minimizes the need for extensive parameter training. This module integrates image embeddings with multi-label diagnostic classification logits, preserving critical clinical details while bridging the semantic gap. By keeping the LLM frozen, our method requires minimal trainable parameters and mitigates the risk of overfitting on small, domain-specific datasets. Through a systematic study spanning LLMs from 96.1M to 1.6B parameters, we find that fine-tuning is most beneficial for smaller LLMs, whereas freezing larger (~1B+ LLMs and training only lightweight projection layers provides a superior trade-off between performance, generalization, and computational efficiency. Across multiple automatic metrics and a clinical reader study, RAD3D-Prefix outperforms comparable parameter-efficient baselines and demonstrates strong out-of-domain generalization while using substantially fewer trainable parameters than fully fine-tuned alternatives.

24.
arXiv (math.PR) 2026-06-11

Arrangements of Consecutive Numbers in Mallows Permutations

arXiv:2606.12410v1 Announce Type: cross Abstract: We study the random variable that counts the number of specific arrangements of clustered consecutive numbers in permutations under the Mallows distribution. We provide an asymptotic expression for the expected value of this random variable. This result extends and tightens the previously known result by Pinsky (2022) concerning clustered consecutive numbers in Mallows permutations. Moreover, we identify a range of parameters for which the distribution of the number of arrangements of clustered consecutive numbers in Mallows permutations is close to a Poisson distribution.

25.
arXiv (CS.AI) 2026-06-19

Learning Geometric Representations from Videos for Spatial Intelligent Multimodal Large Language Models

arXiv:2606.05833v2 Announce Type: replace-cross Abstract: Multimodal Large Language Models (MLLMs) excel at 2D semantic understanding but lack intrinsic 3D awareness, resulting in representations that fail to maintain geometric and spatial consistency across video frames. Given the scarcity of large-scale 3D data, we present GeoVR, a novel framework that learns geometric representations using purely 2D video sequences. This approach effectively restructures the semantic latent space within MLLMs to unlock spatial intelligence. Rather than employing superficial feature mixing, GeoVR reshapes the internal representations of the MLLM by distilling geometry knowledge from pre-trained 3D foundation models. This is accomplished through a multi-objective learning strategy driven by four complementary geometric targets: (1) estimating inter-frame camera poses to embed varying viewpoint dynamics, (2) regressing dense depth maps to anchor physical distances, (3) predicting a metric scale factor for real-world calibration, and (4) distilling multi-scale 3D features to align the intermediate feature space. Guided by these explicit physical and geometric constraints, the model's internal representations naturally develop strong 3D awareness. Extensive experiments on spatial reasoning benchmarks demonstrate that GeoVR achieves state-of-the-art performance, establishing a new paradigm for endowing foundation models with spatial intelligence.