Fixed-Point Neural Optimal Transport without Implicit Differentiation

We propose an implicit neural formulation of optimal transport that eliminates adversarial min--max optimization and multi-network architectures commonly used in existing approaches. Our key idea is to parameterize a single potential in the Kantorovich dual and reformulate the associated c-transform as a proximal fixed-point problem. This yields a stable single-network framework in which dual feasibility is enforced exactly through proximal optimality conditions rather than adversarial training. Despite the inner fixed-point computation, gradients can be computed without differentiating through the fixed-point iterations, enabling efficient training without requiring implicit differentiation. We further establish convergence of stochastic gradient descent. The resulting framework is efficient, scalable, and broadly applicable: it simultaneously recovers forward and backward transport maps and naturally extends to class-conditional settings. Experiments on high-dimensional Gaussian benchmarks, physical datasets, and image translation tasks demonstrate strong transport accuracy together with improved training stability and favorable computational and memory efficiency.

Spectral Transformer Neural Processes

Time series, spatial data, and images are natural applications of Neural Processes. However, when such data exhibit strong periodicity and quasi-periodicity, existing methods often suffer from underfitting and generalise poorly beyond the training distribution. In this work, we propose Spectral Transformer Neural Processes (STNPs), a frequency-aware extension of Transformer Neural Processes (TNPs). STNPs introduce a Spectral Aggregator that estimates an empirical context spectrum, compresses it into a spectral mixture, samples task-adaptive spectral features, and concatenates them with time-domain embeddings, thereby injecting a spectral-mixture-kernel bias into TNPs. This design reshapes the similarity geometry, allowing inputs that are distant in Euclidean space to remain close in an induced periodic manifold while enhancing time-frequency interactions. Extensive experiments on synthetic regression tasks, real-world time-series datasets, and an image dataset demonstrate that STNPs consistently improve predictive performance over existing baselines, extending Neural Processes beyond translation equivariance towards effective modelling of periodicity and quasi-periodicity.

Image-Based Whole-Heart Cardiac Flow Simulations in Health and Congenital Heart Disease

Intracardiac flow patterns are shaped by the coupled motion of the cardiac chambers and heart valves and provide important information about cardiac function. However, clinical flow imaging remains limited by exam times, noise, resolution, and incomplete details of the three-dimensional flow. Computational fluid dynamics (CFD) can potentially provide detailed flow quantification and predictive insight into treatment outcomes, but clinical translation requires frameworks that reproduce patient-specific measurements while balancing physiological realism, computational cost, and modeling effort. Herein, we present an image-based, patient-specific computational framework for simulating whole-heart intracardiac hemodynamics that balances physiological fidelity with computational efficiency. The framework first employs machine learning-based segmentation and mesh propagation to reconstruct moving cardiac anatomies from time-resolved images. CFD simulations are then performed to resolve blood flow in deforming domains, while resistive immersed surfaces (RIS) are used to model all four cardiac valves with physiologically realistic opening and closing dynamics. The framework was applied to model hemodynamics in a healthy adult and a pediatric patient with complex congenital heart disease (CHD). In the healthy case, the simulations reproduced physiologic pressure-volume behavior, valve timing, and ventricular vortex formation. In the CHD case, simulated chamber and vessel pressures showed agreement with cardiac catheterization measurements. Simulated flow fields were qualitatively consistent with 4D-Flow MRI, while providing higher-resolution visualization of flow structures that were partially obscured by imaging artifacts. Comparison between the healthy and CHD cases further revealed altered diastolic flow organization and elevated normalized viscous dissipation in the CHD heart.

An Elastic Shape Variational Autoencoder for Skeleton Pose Trajectories

Deep generative models provide flexible frameworks for modeling complex, structured data such as images, videos, 3D objects, and texts. However, when applied to sequences of human skeletons, standard variational autoencoders (VAEs) often allocate substantial capacity to nuisance factors-such as camera orientation, subject scale, viewpoint, and execution speed-rather than the intrinsic geometry of shapes and their motion. We propose the Elastic Shape - Variational Autoencoder (ES-VAE), a geometry-aware generative model for skeletal trajectories that leverages the transported square-root velocity field (TSRVF) representation on Kendall's shape manifold. This representation inherently removes rigid translations, rotations, and global scaling of shapes, and temporal rate variability of sequences, isolating the underlying shape dynamics. The ES-VAE encoder maps skeletal sequences to a low-dimensional latent space incorporating the Riemannian logarithm map, while the decoder reconstructs sequences using the corresponding exponential map. We demonstrate the effectiveness of ES-VAE on two datasets. First, we analyze skeletal gait cycles to predict clinical mobility scores and classify subjects into healthy and post-stroke groups. Second, we evaluate action recognition on the NTU RGB+D dataset. Across both settings, ES-VAE consistently outperforms standard VAEs and a range of sequence modeling baselines, including temporal convolutional networks, transformers, and graph convolutional networks. More broadly, ES-VAE provides a principled framework for learning generative models of longitudinal data on pose shape manifolds, offering improved latent representation and downstream performance compared to existing deep learning approaches.

DBMSolver: A Training-free Diffusion Bridge Sampler for High-Quality Image-to-Image Translation

Diffusion-based image-to-image (I2I) translation excels in high-fidelity generation but suffers from slow sampling in state-of-the-art Diffusion Bridge Models (DBMs), often requiring dozens of function evaluations (NFEs). We introduce DBMSolver, a training-free sampler that exploits the semi-linear structure of DBM's underlying SDE and ODE via exponential integrators, yielding highly-efficient 1st- and 2nd-order solutions. This reduces NFEs by up to 5x while boosting quality (e.g., FID drops 53% on DIODE at 20 NFEs vs. 2nd-order baseline). Experiments on inpainting, stylization, and semantics-to-image tasks across resolutions up to 256x256 show DBMSolver sets new SOTA efficiency-quality tradeoffs, enabling real-world applicability. Our code is publicly available at https://github.com/snumprlab/dbmsolver.

Reservoir property image slices from the Groningen gas field for image translation and segmentation

Reservoir characterization workflows increasingly rely on image-based and machine-learning/deep learning or even generative AI approaches, but openly available geological image datasets suitable for reproducible benchmarking remain limited. Here we describe a high-resolution dataset of reservoir-property image slices derived from the Groningen static geological model. The dataset contains aligned two-dimensional PNG images representing facies, porosity, permeability, and water saturation, generated from three-dimensional reservoir grids and prepared for downstream visualization, segmentation, and image-to-image translation tasks. In addition to the deposited original image corpus, we provide an archived software workflow for reproducing augmentation, mask generation, paired-image construction, and example baseline experiments. The resource is designed to support benchmarking of geological image analysis methods and the study of cross-domain relationships among reservoir properties. By separating the fixed image dataset from the reproducible processing workflow, this work provides a transparent foundation for reuse in geoscience, reservoir modeling, and machine-learning applications.

MolRecBench-Wild: A Real-World Benchmark for Optical Chemical Structure Recognition

Optical Chemical Structure Recognition (OCSR) aims to translate molecular diagrams in scientific literature into machine-readable formats, but current systems remain unreliable on real-world images due to substantial visual and chemical complexity. We introduce MOSAIC, a dual-dimensional difficulty framework with 37 fine-grained labels that jointly characterize visual interference and chemical semantic challenges in molecular diagrams. Based on this framework, we construct MolRecBench-Wild, a benchmark of 5,029 structures from 820 recent chemistry papers, covering the full difficulty spectrum observed in real publications. To enable faithful semantic evaluation beyond SMILES and MolFile, we propose CARBON, a representation language capable of expressing valence variations, icon-based groups, and other non-standard chemical semantics. We further adopt a dual-track evaluation protocol supporting both CARBON and SMILES outputs for broad model compatibility. Comprehensive experiments over 18 OCSR-capable models reveal severe performance degradation on MolRecBench-Wild, exposing a large gap between previous patent benchmarks and real-world academic scenarios.

Robustness and Transferability of Pix2Geomodel for Bidirectional Facies Property Translation in a Complex Reservoir

Reservoir geomodeling is central to subsurface characterization, but it remains challenging because conditioning data are sparse, geological heterogeneity is strong, and conventional geostatistical workflows often struggle to capture nonlinear relationships between facies and petrophysical properties. This study evaluates the robustness and transferability of Pix2Geomodel on a different and more complex reservoir dataset with reduced vertical support. The new case includes a heterogeneous reservoir-quality classification and only 54 retained layers, providing a stricter test of whether Pix2Pix-based image-to-image translation can preserve facies-property relationships under constrained data conditions. Facies, porosity, permeability, and clay volume (VCL) were extracted from a reference reservoir model, exported as aligned two-dimensional slices, augmented using consistent geometric transformations, and assembled into paired image datasets. Six bidirectional tasks were evaluated: facies to porosity, facies to permeability, facies to VCL, porosity to facies, permeability to facies, and VCL to facies. The Pix2Pix model, consisting of a U-Net generator and PatchGAN discriminator, was evaluated using image-based metrics, visual comparison, and variogram-based spatial-continuity validation. Results show that the model preserves the dominant geological architecture and main spatial-continuity trends. Facies to porosity achieved the highest pixel accuracy and frequency-weighted intersection over union of 0.9326 and 0.8807, while VCL to facies achieved the highest mean pixel accuracy and mean intersection over union of 0.8506 and 0.7049. These findings show that Pix2Geomodel can transfer beyond its original case study as a practical framework for rapid bidirectional facies-property translation in complex reservoir modeling.

Bridging visual saliency and large language models for explainable deep learning in medical imaging

The opaque nature of deep learning models remains a significant barrier to their clinical adoption in medical imaging. This paper presents a multimodal explainability framework that bridges the gap between convolutional neural network (CNN) predictions and clinically actionable insights for brain tumor classification, leveraging large language models (LLMs) to deliver human-interpretable diagnostic narratives. The proposed framework operates through three coupled stages. First, nine CNN architectures are extended with a dual-output hybrid formulation that simultaneously optimises a classification head and a segmentation head, enabling spatially richer feature learning. Second, visual saliency attribution methods, namely Grad-CAM, Grad-CAM++, and ScoreCAM, are applied to generate class-discriminative heatmaps, which are subsequently refined into binary tumor masks via an adaptive percentile thresholding pipeline. Third, the resulting masks are mapped onto the Harvard-Oxford cortical atlas to translate pixel-level evidence into named neuroanatomical structures, and the extracted findings are encoded into a structured JSON file that conditions three LLMs (Grok3, Mistral, and LLaMA) to generate coherent, radiological-style diagnostic reports. Evaluated on a dataset of 4,834 contrast-enhanced T1-weighted brain MRI images spanning three tumor classes, InceptionResNetV2 achieved the highest classification performance and Grad-CAM++ yielded the best segmentation overlap. Among the language models, Grok3 led in lexical diversity and coherence, while LLaMA achieved the highest readability score. By integrating visual, anatomical, and linguistic modalities into a unified pipeline, the framework produces explanations that are technically grounded and meaningfully interpretable, advancing the transparency and clinical accountability of artificial intelligence assisted brain tumor diagnosis.

A Hybrid Approach for Closing the Sim2real Appearance Gap in Game Engine Synthetic Datasets

Video game engines have been an important source for generating large volumes of visual synthetic datasets for training and evaluating computer vision algorithms that are to be deployed in the real world. While the visual fidelity of modern game engines has been significantly improved with technologies such as ray-tracing, a notable sim2real appearance gap between the synthetic and the real-world images still remains, which limits the utilization of synthetic datasets in real-world applications. In this letter, we investigate the ability of a state-of-the-art image generation and editing diffusion model (FLUX.2-4B Klein) to enhance the photorealism of synthetic datasets and compare its performance against a traditional image-to-image translation model (REGEN). Furthermore, we propose a hybrid approach that combines the strong geometry and material transformations of diffusion-based methods with the distribution-matching capabilities of image-to-image translation techniques. Through experiments, it is demonstrated that REGEN outperforms FLUX.2-4B Klein and that by combining both FLUX.2-4B Klein and REGEN models, better visual realism can be achieved compared to using each model individually, while maintaining semantic consistency. The code is available at: https://github.com/stefanos50/Hybrid-Sim2Real