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01.
medRxiv (Medicine) 2026-06-15

Modelling the public-health impact of indoor air quality interventions on respiratory virus transmission

Respiratory virus transmission occurs in indoor settings where ventilation, occupancy, and dwell time determine exposure levels. Improving indoor air quality (IAQ) therefore could help reduce disease burden associated with respiratory viruses, yet its population-level impact remains poorly quantified. Here, we develop an individual-based transmission modelling framework that links within-location airborne dynamics to individual infection risk and population-level spread, whilst explicitly incorporating heterogeneity in ventilation and baseline indoor air quality across locations. We use this modelling approach to evaluate IAQ-improving interventions (air-quality interventions or AQIs), using hypothetical endemic and pandemic pathogen archetypes with properties similar to SARS-CoV-2 and influenza, and evaluate how effects on key epidemiological metrics (such as annualized incidence and epidemic final size) depend on AQI coverage, efficacy and allocation strategy. At 20% AQI intervention coverage and 80% efficacy, annualized incidence was reduced by approximately 7.2% for an endemic 'SARS-CoV-2-like' respiratory virus, and 17.0% for an endemic 'influenza-like' virus; at 60% coverage (80% efficacy) the reductions were 26.3% and 56.4%, respectively. Targeting AQI installation to the highest-risk locations outperformed random allocation: for SARS-CoV-2-like transmission, 20% coverage at 80% efficacy cut absolute incidence by 10.8% when targeted versus 7.2% when random; for influenza-like transmission, this comparison was 28.9% versus 17.0%. In epidemic scenarios, random installation at 40% coverage and 60% efficacy reduced final size by 23.7% (influenza-like) versus 6.3% (SARS-CoV-2-like). These results support treating clean indoor air as core public-health infrastructure and prioritising risk-based deployment of IAQ-improving interventions to maximise population-level benefit within budgetary and operational constraints.

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

Auditing Demographic Bias in Facial Landmark Detection for Fair Human-Robot Interaction

Fairness in human-robot interaction critically depends on the reliability of the perceptual models that enable robots to interpret human behavior. While demographic biases have been widely studied in high-level facial analysis tasks, their presence in facial landmark detection remains unexplored. In this paper, we conduct a systematic audit of demographic bias in this task, analyzing the age, gender, and race biases. To this end, we introduce a controlled statistical methodology to disentangle demographic effects from confounding visual factors. Our analysis demonstrates that visual confounders, particularly head pose and face resolution, heavily outweigh the impact of demographic attributes. Notably, after accounting for these confounders, performance disparities across gender and race vanish. However, we identify a statistically significant age-related bias, with higher localization errors for older individuals. This shows that fairness issues can emerge even in low-level vision components and can propagate through the HRI pipeline. We argue that auditing and correcting such biases is a necessary step toward trustworthy and equitable robot perception systems.

03.
arXiv (CS.AI) 2026-06-16

HoloRec: Holistic Encoding and Interleaved Reasoning for Generative Recommendation

arXiv:2606.15331v1 Announce Type: cross Abstract: Generative recommendation models that formulate the task as sequence generation overcome the objective fragmentation problem of traditional cascade architectures, yet existing approaches still suffer from flat semantic representations lacking hierarchical structure for multi-step reasoning and an externally constructed chain-of-thought (CoT) that requires expensive annotations and remains disconnected from the generation objective. We propose HoloRec, an endogenous chain-of-thought recommendation mechanism that unifies representation, reasoning, and generation by constructing a hierarchical semantic encoding matrix via multi-granularity nested residual quantization optimized by a holistic reconstruction loss. HoloRec supports two inference modes: a non-thinking mode that uses lightweight multi-granularity supervised alignment for fast prediction, and a thinking mode that employs an interleaved reasoning scheme to generate CoT steps on the fly, directly embedding reasoning into the generation process without external data. Experiments on multiple public recommendation datasets demonstrate that HoloRec consistently outperforms baselines, with especially significant gains in sparse scenarios, and the thinking mode achieves better accuracy than the non-thinking mode with only modest inference overhead.

04.
Nature (Science) 2026-06-10

Light slows down carbon nanotubes in water

Water-suspended carbon nanotubes move more slowly in green light, suggesting that excited electrons in the tubes couple to the water through ‘quantum friction’. Water-suspended carbon nanotubes move more slowly in green light, suggesting that excited electrons in the tubes couple to the water through ‘quantum friction’.

05.
arXiv (CS.AI) 2026-06-15

Robustness without Wrinkles: Parallel Simulation and Robust MPC for Certified Deformable Manipulation

arXiv:2606.14188v1 Announce Type: cross Abstract: We present CORD-SLS, a real-time control method for safe deformable object manipulation, with a focus on ropes and cloth. At its core is a GPU-parallel differentiable simulator with contact smoothing which enables efficient gradient-based planning through intermittent contact. To robustly satisfy constraints under model and sensing uncertainty, we develop a real-time, GPU-parallel output-feedback robust model predictive control (MPC) algorithm that plans with this simulator. We further show that the simulator accelerates model-based RL for training neural manipulation policies. To improve real-world robustness, we use conformal prediction to calibrate visual-feedback and perception-error bounds for MPC, producing reachable tubes that enable high-probability safe control. We evaluate CORD-SLS on high-dimensional, contact-rich rope and cloth manipulation tasks in simulation and hardware, including obstacle avoidance, routing, folding, and smoothing. Across settings, CORD-SLS achieves millisecond-speed planning, exceeding baselines in safety, speed, and task success.

06.
medRxiv (Medicine) 2026-06-24

Computational Decomposition of New Memory Failure in Alzheimer's Disease Through a Hippocampal Cortical Consolidation Bottleneck Model

Alzheimer's disease (AD) is clinically marked by difficulty retaining newly learned information, yet routine memory scores often conflate poor initial encoding with failure to stabilise information after encoding. This ambiguity limits the mechanistic interpretability of cognitive assessment during the transition from mild cognitive impairment to AD. Here we propose a Hippocampal Cortical Consolidation Bottleneck (HCCB) model to computationally separate these two components of new memory failure. The model represents newly presented information as a rapidly formed hippocampal trace and a slowly stabilised cortical trace, predicting a residual bottleneck when delayed recall falls below the level expected from immediate recall. We operationalised this prediction as Consolidation Bottleneck Index*(CBI*), a cognitively normal reference normalised residual index, and evaluated it using Alzheimer's Disease Neuroimaging Initiative (ADNI) cognitive and MRI data, with independent dynamical support from OpenNeuro EEG. Simulations showed recent memory vulnerability when hippocampal vulnerability exceeded cortical vulnerability. In ADNI, CBI* increased from cognitively normal participants to mild cognitive impairment nonconverters, reached Alzheimer like levels in mild cognitive impairment converters, and was associated with hippocampal atrophy. CBI* added minimal discrimination beyond established clinical and structural predictors, supporting its role as a mechanistic phenotype rather than a replacement prognostic model. OpenNeuro EEG further showed increased neurodynamic rigidity in AD. Our findings provide a computational framework for quantifying failed stabilisation of newly encoded information in AD progression.

07.
arXiv (CS.CV) 2026-06-18

SpectralDiT: Timestep-Conditioned Spectral Residual Correction for Flow-Matching DiTs

作者:

We propose SpectralDiT, a lightweight modification to flow-matching Diffusion Transformers that adds timestep-conditioned spectral correction to the MLP residual branch. The module decomposes each residual update into low- and high-frequency components on the patch-token grid, then learns a zero-initialized additive gate so the model initially matches the baseline DiT. On CIFAR-10 pixel-space generation, SpectralDiT improves FID from 20.78 to 19.71 at patch size 1 and reduces the radial Fourier spectrum gap. Furthermore, we scale our method to latent diffusion on ImageNet-100. With 0.6% additional theoretical FLOPs and 1.36% additional parameters, SpectralDiT improves latent flow-matching, achieving an 8.7% relative FID reduction under classifier-free guidance (CFG 2.0). All reported results are averaged over five seeds. Ablations and gate visualizations on CIFAR-10 reveal stable block-specific spectral correction patterns.

08.
arXiv (math.PR) 2026-06-25

Enumeration of maps with the Dumitriu-Edelman model

arXiv:2512.07753v2 Announce Type: replace-cross Abstract: We give an expansion in $1/N$ and $\beta$ of the cumulants of power sums of the particles of the $\beta$-ensemble. This new expansion is obtained using the tridiagonal model of Dumitriu and Edelman. The coefficients of the expansion are expressed in terms of suitably labelled maps introduced by Bouttier, Fusy, and Guitter. Our expansion is of a different nature than the one obtained by LaCroix in is study of the $b$-conjecture of Goulden and Jackson, and involves only orientable maps. We are able to relate bijectively the first two orders of our expansion to the one of LaCroix using a novel many-to-one mapping that relates suitably labelled planar maps with two minima and maps on the projective plane.

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

An Introduction to the Foundations and Interpretations of Quantum Mechanics

arXiv:2603.09818v2 Announce Type: replace Abstract: This article surveys a selection of key conceptual and interpretational developments in quantum mechanics, tracing the theory from its foundational postulates to contemporary discussions of measurement, nonlocality, and the emergence of classicality. Beginning with the structure of Hilbert space and the postulates governing state evolution and measurement, the epistemic stance of the Copenhagen interpretation and its modern reformulations are examined. The Einstein-Podolsky-Rosen argument, Bell's theorem, and Hardy's paradox are then discussed as probes of locality and realism, alongside the deterministic but explicitly nonlocal de Broglie-Bohm theory. The measurement problem and the implications of contextuality are analyzed in relation to objective collapse models, which introduce new physical dynamics to account for definite outcomes. Finally, the role of decoherence in the suppression of interference and the emergence of classical behavior is explored, together with the interpretational frameworks of many-worlds and consistent histories. This material aims to provide a coherent introductory overview of how several of the most prominent interpretations address the central concern of what quantum mechanics tells us about the nature of physical reality.

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

When Similar Means Different: Evaluating LLMs on Arabic–Hebrew Cognates

Arabic and Hebrew, as closely related Semitic languages, share a substantial lexicon of true cognates, misleading false friends, and modern loanwords. This overlap poses a challenge for cross-lingual semantic understanding in large language models (LLMs). To evaluate this capability, we introduce SemCog Bench, a curated benchmark of 1,858 Arabic–Hebrew word pairs with sentence-level annotations for cognate identification and semantic disambiguation. We evaluate open-source and commercial LLMs across multiple input representations (raw, diacritized, Romanized, and phonetic) and reveal a critical gap in cross-lingual reasoning. While models achieve high accuracy on true cognates, performance drops sharply on false friends and loanwords, reflecting a strong reliance on surface-form similarity. Furthermore, sentence-level context yields only modest improvements, suggesting that contextual cues alone are insufficient to overcome misleading form-based signals. These findings reveal a fundamental limitation of current LLMs in resolving cross-lingual form–meaning conflicts and establish SemCog Bench as a rigorous benchmark for multilingual semantic reasoning. Our code and data are publicly available.

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

On the Variance of Temporal Difference Learning and its Reduction Using Control Variates

arXiv:2606.20357v1 Announce Type: new Abstract: We analyze the variance of temporal difference (TD) learning using the phased setting with tabular representation, and show that one of the mechanisms behind its ability to reduce variance is by effectively aggregating over a larger number of independent trajectories. Based on this insight, we demonstrate that (1) the variance of TD is asymptotically bounded from above by Monte Carlo (MC) estimators, and (2) shorter horizon updates incurs less variance for a fixed number of samples. Beyond TD, we show that Direct Advantage Estimation (DAE), a method for estimating the advantage function, can be seen as a type of regression-adjusted control variate, which achieves a tighter bound on the variance compared to TD in the large-sample limit. Finally, we numerically illustrate the behaviors of these estimators with carefully designed environments.

12.
arXiv (CS.LG) 2026-06-18

Optimal scenario design for climate emulation

arXiv:2606.19302v1 Announce Type: cross Abstract: As deep learning for physical systems continues to grow in popularity, efforts to improve generalizability have primarily focused on designing architectures that embed physical constraints. However, for machine-learning surrogate climate models (emulators), we show that the low structural diversity in existing scenarios commonly used to generate training data places a ceiling on predictive skill. Here, we examine whether training datasets themselves can be optimized to improve generalization. We introduce a method to create datasets that produce emulators capable of generalizing to new, structurally different scenarios absent from the training data. We use a differentiable Simple Climate Model (SCM) to calculate the sensitivity of emulator loss to perturbations in the training data, iteratively updating the training data to maximize emulator skill. For an SCM, training on one scenario optimized in this fashion outperforms an emulator trained on six standard ScenarioMIP pathways. We achieve this higher predictive skill despite training on a smaller dataset, finding that our emulator successfully isolates distinct physical behaviors of different climate forcing agents (e.g., greenhouse gases vs. aerosols) without single-forcing runs. We then demonstrate that scenarios optimized using an SCM, when used to drive an intermediate-complexity climate model, produce a training dataset that yields a more skillful emulator than training on ScenarioMIP outputs. Our results suggest that, in the compute-constrained environment of running full-scale climate models, generating a small number of dynamically rich scenarios provides greater marginal value for emulation and characterizing system responses than expanding the suite of traditional emissions pathways.

13.
arXiv (CS.LG) 2026-06-19

Distributionally Robust Set Representation Learning Under Inference-Time Element Corruption

arXiv:2605.30089v2 Announce Type: replace Abstract: Standard Set Representation Learning methods typically excel on curated data but often overlook the challenge of inference-time element corruption. This refers to scenarios where deployed models encounter element-level degradations, such as outliers or missing components, that may distort set representation and degrade performance. We propose SW-DRSO, a distributionally robust optimization framework tailored for sets. Rather than minimizing loss solely on observed training data, SW-DRSO optimizes a tractable surrogate of the worst-case expected loss over a family of plausible inference-time variations. We introduce a barycentric adversary that approximates the intractable search over corrupted sets by a differentiable training-time optimization over simplex weights. Extensive experiments across four tasks demonstrate that SW-DRSO effectively enhances robustness against corruption while maintaining high overall performance.

14.
medRxiv (Medicine) 2026-06-16

Utilising Artificial Intelligence to Identify Ventricular Tachycardia Ablation Targets in Sinus Rhythm

Background and Aims: Machine learning has shown potential in predicting ablation targets for ventricular tachycardia (VT) in an animal model. This study progresses to externally validating deep learning approaches for human data. Methods: The development and external validation dataset included 21 and 13 patients, respectively, with structural VT undergoing catheter ablation. In the development datasets, electrophysiological studies were conducted using the AdvisorTM HD grid (EnsiteTM X), while both CARTO and Ensite Precision were used in the validation dataset. In each patient, VT ablation targets were defined as mapping points within 8 mm of VT isthmuses. Three advanced machine learning models were trained using cardiac mapping data acquired in both omnipolar and unipolar configurations during sinus rhythm and ventricular pacing. Discrimination was evaluated using nested leave-one-out cross-validation at patient level. Results: Overall, graph convolutional networks (GCNs), which integrate intracardiac signal waveforms with three-dimensional electroanatomical geometries, achieved the highest performance, with optimal results obtained from unipolar electrograms acquired in sinus rhythm (median AUC 0.793, sensitivity 83.6%, specificity 69.0%). This may be partly explained by the inclusion of repolarization dynamics in unipolar electrograms and the higher point density of sinus rhythm maps. Comparable performance was observed in the external dataset. Conclusion: This study demonstrates that graph convolutional networks applied to sinus rhythm EGM waveforms collected during substrate mapping can localise critical components of VT re-entry circuits. This approach has potential to provide fast and accurate ablation guidance without the need to induce and map VT, improving safety and efficacy of VT catheter ablation.

15.
arXiv (math.PR) 2026-06-17

Persistence diagrams of random triangular matrices over finite fields

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

16.
arXiv (quant-ph) 2026-06-25

Quantum metrology of electric and magnetic dipole moments: ultimate limits and optimal regimes

arXiv:2606.25510v1 Announce Type: new Abstract: The characterization of electric and magnetic dipole moments (EDM and MDM) in quantum systems is central to fundamental physics and quantum sensing. While EDM searches provide powerful probes of CP violation within and beyond the Standard Model, precise MDM estimation is crucial for high-precision magnetometry and the development of quantum sensors. In this work, we address the ultimate precision limits for separate and simultaneous estimation of both dipole moments in a generic two-level system coupled to electromagnetic fields. We analyze three classes of quantum probes/strategies: unitary and depolarizing dynamics, and thermal equilibrium states. For each, we derive the quantum Fisher information (matrix), identify optimal probes, and determine the ideal operating conditions, such as evolution times and temperatures, that maximize estimation precision. We further assess the compatibility and sloppiness of the statistical models, showing that orthogonal dipole moments configurations enable joint estimation of EDM and MDM, whereas parallel configurations are intrinsically sloppy, permitting only the estimation of a single parameter combination. Our results provide a unified metrological framework for estimation schemes ranging from neutron EDM searches to molecular magnetometry, and highlight the distinct roles of coherence, noise, and thermalization in multiparameter quantum sensing of dipole moments.

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

Review of Machine Learning Models for Solar Energetic Particle Prediction

arXiv:2606.19539v1 Announce Type: cross Abstract: Solar energetic particle (SEP) events have attracted increasing attention due to their significant radiation hazards for aviation, spacecraft electronics, and human missions beyond Earth's magnetosphere. From a scientific perspective, SEP events are intriguing because they arise from a set of physical processes extending from the solar surface and corona through the heliosphere, offering insight into particle acceleration and transport mechanisms that are widely applicable across astrophysics. Therefore, advancing our ability to understand and predict SEP events is essential both for deepening our knowledge of such mechanisms and for safeguarding space technologies and exploration. Traditionally, researchers have modeled SEPs using physics-based simulations and empirical methods. More recently, machine learning (ML) has emerged as a new tool for understanding and predicting SEP events. The purpose of this manuscript is to review the currently available ML models for SEP prediction, identify the datasets used for training, compare their architectures, inputs, and outputs, and, based on these insights, outline good practices and recommendations for future research.

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

OnDeFog: Online Decision Transformer under Frame Dropping

arXiv:2606.19721v1 Announce Type: cross Abstract: In challenging real-world reinforcement learning applications, communication delays or sensor failures often cause frame dropping, in which the agent cannot receive the dropped states and associated rewards. To address the performance degradation caused by frame dropping, the Decision Transformer under Random Frame Dropping (DeFog) was developed by incorporating additional mechanisms into the decision transformer to tackle frame dropping. Although DeFog can mitigate performance degradation in frame-dropping environments, since DeFog is an offline learning method, it struggles to effectively generalize to novel states not adequately represented in the training dataset. In this study, we propose OnDeFog, which integrates the mechanisms in DeFog with the online decision transformer (ODT), an online reinforcement learning method that learns policies through direct environmental interaction. Comprehensive experimental evaluation demonstrates that our proposed OnDeFog achieves superior performance compared to ODT in environments characterized by high dropping frame rate and outperforms DeFog on datasets containing a large amount of low-reward data.

19.
arXiv (CS.LG) 2026-06-24

An Agnostic Machine Learning Model of Photosynthetic Habitability

arXiv:2606.24458v1 Announce Type: cross Abstract: The search for exoplanet biosignatures is guided by whether planetary environments can sustain photosynthesis. As such, the Photosynthetic Habitable Zone (PHZ) was recently proposed, as the overlap between the canonical habitable zone and the orbital range where stellar irradiance is sufficient to drive photosynthesis. Existing PHZ estimates rely on empirical light-response curves from Earth phytoplankton, and thus include implicit Earth-centric biases. We introduce an agnostic PHZ derived from a generalized model of photosynthesis grounded in thermodynamics and redox chemistry, without reference to model organisms. The model is built on a generic photochemical reaction in which photon capture couples oxidation of a donor molecule to the reduction of CO2. The optical properties and CO2 reduction rate are optimized against irradiance spectra for exoplanets orbiting main-sequence stars, using a genetic algorithm that mimics evolution by natural selection. Our simulations predict that photosynthetic organisms compensate for reduced flux by evolving larger light-harvesting structures. As a result, photosynthetic viability declines only linearly with orbital distance, despite stellar flux falling off quadratically. As such, the agnostic PHZ expands well beyond previous Earth-based estimates. Earth-like (visible light) oxygenic photosynthesis is flux-limited at the outer habitable zone for cool M-dwarf stars; however, both anoxygenic photosynthesis and a hypothetical, NIR-driven oxygenic photosynthesis are viable across the entire habitable zone for M, K, and G stars. This implies that M-dwarf exoplanets could sustain robust oxygenic photosynthesis, though it would be different to that found on Earth, presenting reflectance biosignatures in the NIR band rather than the visible.

20.
arXiv (CS.CL) 2026-06-16

Contaminated Collaboration: Measuring Gender Bias Transfer in LLM-Assisted Student Writing

Gender bias in LLMs has been studied extensively in model outputs, with biased prompts shown to amplify stereotyped generations. Whether such bias propagates into text produced by humans who use these systems, however, remains underexplored. We investigate whether gender bias in an LLM writing assistant transfers into career plan essays written by students. We first verify that a gender-biased prompt induces gender-differentiated language in LLM-generated essays, while a neutral prompt does not. We then recruited participants (N = 123) in a controlled environment to write career plan essays for paired biographical profiles differing only in gender under three conditions: no AI assistance, neutral LLM assistance, or gender-biased LLM assistance. Students in the biased condition produced essays with a significantly larger agentic gap and more gender-stereotypic occupation suggestions than those in the control and neutral conditions. Our results also reveal that this bias transfer is asymmetric: agency is suppressed in female-target essays while male-target writing remains largely unaffected. Our findings highlight the risk of bias propagation in AI-assisted writing, calling for fairness-aware design in educational AI tools.

21.
arXiv (CS.LG) 2026-06-17

Finsler Geometry, Graph Neural Networks, and You

arXiv:2606.17185v1 Announce Type: new Abstract: Graph neural network architectures based on the graph Laplacian approximate the Laplace-Beltrami operator, thus limiting their application to isotropic operators. As a nonlinear alternative to the Laplace-Beltrami operator, we consider estimates of the Finsler Laplacian on point clouds sampled from a manifold. We prove that these discrete estimates converge to the true operator on the manifold as the number of point samples grows. Moreover, we show that this operator can be expressed as a graph neural network layer, which we use to define a family of Finslerian graph neural networks constrained to express Finsler geometry. We show that Finslerian graph neural networks recover the geometry underlying nonlinear diffusion equations in practice.

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

Similarity-based representation factorization for revealing interpretable dimensions in representational data

The study of representations is widespread across fields, including neuroscience, psychology, and artificial intelligence. While representations are often studied and compared through similarities between stimuli, current methods provide only limited access to the dimensions that shape these representations and are often limited in interpretability. To overcome these challenges, here we introduce Similarity-Based Representation Factorization (SRF), a general computational method for recovering low-dimensional, non-negative, interpretable embeddings from similarity matrices derived from measured data. Across simulations and many neural, behavioral, and computational datasets, SRF recovers interpretable dimensions from diverse forms of representational data, even for very sparsely sampled, incomplete data. The dimensions derived from these datasets match those obtained by task-specific models, predict independent behavioral properties, improve exploratory analysis, and offer higher power for confirmatory hypothesis testing than comparing similarity matrices. Together, these results establish SRF as a general-purpose method with broad applications for uncovering, understanding, and using the dimensions underlying representations.

23.
arXiv (CS.LG) 2026-06-15

Curvature-Guided Geometric Representation for Protein-Ligand Binding Affinity Prediction

arXiv:2606.14159v1 Announce Type: new Abstract: Protein-ligand binding affinity (PLA) prediction is critical in drug discovery. Despite the notable advancements in machine learning-based approaches, existing methods struggle to jointly characterize local geometric organization and globally coordinated cross-molecular interactions, limiting their ability to model complex binding mechanisms. Here, we propose RicciBind, a geometric representation framework that integrates curvature-guided hierarchical structure learning with optimal transport (OT)-based cross-domain alignment to model molecular interactions. Specifically, RicciBind leverages Ricci curvature to capture local interaction tightness within molecular structures, enhancing structural awareness and organizing atomic interactions into curvature-aware hierarchical representations. An OT-based cluster matching mechanism then aligns protein and ligand clusters across heterogeneous domains under geometric constraints, enabling globally consistent correspondences and revealing higher-order interaction patterns beyond local neighborhoods. By coupling curvature-guided structure encoding with OT-driven cross-domain alignment, RicciBind effectively models complex interaction semantics and substantially improves both the accuracy and interpretability of binding affinity prediction. Extensive experiments demonstrate that RicciBind achieved superior predictive performance and generalization across PLA benchmarks and virtual screening tasks. Ablation studies further confirmed the essential role of Ricci curvature in enhancing molecular interaction representations.

24.
arXiv (CS.CV) 2026-06-17

SceneCompleter: Dense 3D Scene Completion for Generative Novel View Synthesis

Generative models have shown great promise for novel view synthesis (NVS) by leveraging strong image generation priors. However, existing approaches typically follow a 2D inpainting paradigm, first completing missing image regions and then performing 3D reconstruction. This strategy often causes geometry distortion and appearance drift, as 2D inpainting models cannot reliably infer the underlying 3D structure required for cross-view consistent generation. In this paper, we propose SceneCompleter, a geometry-aware framework that reformulates generative NVS as dense 3D scene completion. Instead of hallucinating isolated 2D views, SceneCompleter jointly completes geometry and appearance through a geometry-appearance dual-stream diffusion model in a spatially aligned RGBD latent space. To provide holistic scene context, we further introduce a Scene Embedder that conditions generation on global semantic and stylistic information from reference images. The completed RGBD predictions are then aligned and integrated into an expandable 3D scene representation, enabling iterative and coherent scene completion. Extensive experiments on in-domain and out-of-distribution datasets demonstrate that SceneCompleter produces visually plausible and geometrically consistent novel views across diverse scenarios. Project Page: https://chen-wl20.github.io/SceneCompleter

25.
arXiv (CS.LG) 2026-06-15

EqCollide: Equivariant and Collision-Aware Deformable Objects Neural Simulator

arXiv:2506.05797v2 Announce Type: replace Abstract: Simulating collisions of deformable objects is a fundamental yet challenging task due to the complexity of modeling solid mechanics and multi-body interactions. Existing data-driven methods often suffer from lack of equivariance to physical symmetries, inadequate handling of collisions, and limited scalability. Here we introduce \name, the first end-to-end equivariant neural fields simulator for deformable objects and their collisions. We propose an equivariant encoder to map object geometry and velocity into latent control points. A subsequent equivariant Graph Neural Network-based Neural Ordinary Differential Equation models the interactions among control points via collision-aware message passing. To reconstruct velocity fields, we query a neural field conditioned on control point features, enabling continuous and resolution-independent motion predictions. Experimental results on 2D and 3D scenarios show that \name achieves accurate, stable, and scalable simulations across diverse object configurations. It achieves $24.34\%$ to $57.62\%$ lower rollout MSE, even compared with the best-performing baseline model. Furthermore, \name could generalize to more colliding objects and extended temporal horizons, and stay robust to input transformed with group action. Code is available at: https://github.com/AI4Science-WestlakeU/EqCollide