Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field depends on robust benchmarks and minimal, information-rich datasets that enable meaningful model evaluation. This paper critically examines common datasets and reported metrics for a crystal structure prediction task$\unicode{x2014}$generating the most likely structures given the chemical composition of a material. We focus on three key issues: First, materials datasets should contain unique crystal structures; for example, we show that the widely-utilized carbon-24 dataset only contains $\approx$40% unique structures. Second, materials datasets should not be split randomly if polymorphs of many different compositions are numerous, which we find to be the case for the perov-5 and MP-20 datasets. Third, benchmarks can mislead if used uncritically, e.g., reporting a match rate metric without considering the structural variety exhibited by identical building blocks. To address these oft-overlooked issues, we introduce several fixes. We provide revised versions of the carbon-24 dataset: one with duplicates removed, one deduplicated and split by number of atoms $N$, one with enantiomorphs, and two containing only identical structures but with different unit cells. We also propose new splits for datasets with polymorphs, ensuring that polymorphs are grouped within each split subset, setting a more sensible standard for benchmarking model performance. Finally, we present METRe and cRMSE, new model evaluation metrics that can correct existing issues with the match rate metric.

The boundary element method (BEM) provides an efficient numerical framework for solving multiple scattering problems in unbounded homogeneous domains, since it reduces the discretization to the domain boundaries, thereby condensing the computational complexity. The procedure first consists in determining the solution trace on the boundaries of the domain by solving a boundary integral equation, after which the volumetric solution can be recovered at low computational cost with a boundary integral representation. As the first step of the BEM represents the main computational bottleneck, we introduce PIBNet, a learning-based approach designed to approximate the solution trace. The method leverages a physics-inspired graph-based strategy to model obstacles and their long-range interactions efficiently. Then, we introduce a novel multiscale graph neural network architecture for simulating the multiple scattering. To train and evaluate our network, we present a benchmark consisting of several datasets of different types of multiple scattering problems. The results indicate that our approach not only surpasses existing state-of-the-art learning-based methods on the considered tasks but also exhibits superior generalization to settings with an increased number of obstacles. github.com/ENSTA-U2IS-AI/pibnet

Abstract-- Inspecting large-scale industrial surfaces like aircraft fuselages for quality control requires precise, high-resolution 3D geometry. Vision-based tactile sensors (VBTSs) offer high local resolution but require slow'press-and-lift' measurements for large areas. Sliding or roller/belt VBTS designs provide continuous measurement but face significant challenges: sliding suffers from friction/wear, while both are speed-limited by camera frame rates and motion blur . Thus, a rapid, continuous, high-resolution method is needed. We introduce a novel neuromorphic tactile roller sensor . It uses a modified event-based multi-view stereo algorithm for 3D reconstruction, leveraging high temporal resolution and motion blur robustness. This reconstruction is most effective for surfaces with distinct edges or sharp features, which are often the most critical for defect detection in industrial inspection tasks. We demonstrate 0.5 m/s scanning speeds with MAE below 100 µm (11x faster than prior methods). A multi-reference Bayesian fusion strategy reduces MAE by 25.2% (vs. Surface metrology and surface inspection are crucial elements in quality assurance across diverse industries, particularly aerospace and automotive manufacturing. Precise inspection is required to identify characteristics like paint quality, coating integrity, and subtle defects such as cracks, nicks, and dents [1], [2], [3]. Often, achieving a resolution of 0.1 mm or lower is necessary to accurately classify these features and ensure component integrity and safety [4]. Traditional contact-based methods, including high-precision profilometers [5], [6] or microscopic techniques [7], [8], [9], offer high resolution locally but become exceedingly time-consuming when applied to large surface areas due to their sequential, point-by-point or small-patch measurement nature. Non-contact optical methods, such as cameras, laser scanners, or structured light systems [2], [10], [11], [12], [13], [14], can significantly accelerate inspection by capturing data over wider areas. However, these methods often lack robustness; their performance can be compromised by variations in ambient lighting, motion blur when attempting high-speed scanning, or challenging surface optical properties like high reflectivity or transparency [15].

Recent progress in 4D representations, such as Dynamic NeRF and 4D Gaussian Splatting (4DGS), has enabled dynamic 4D scene reconstruction. However, text-driven 4D scene editing remains under-explored due to the challenge of ensuring both multi-view and temporal consistency across space and time during editing. Existing studies rely on 2D diffusion models that edit frames independently, often causing motion distortion, geometric drift, and incomplete editing. We introduce Dynamic-eDiTor, a training-free text-driven 4D editing framework leveraging Multimodal Diffusion Transformer (MM-DiT) and 4DGS. This mechanism consists of Spatio-Temporal Sub-Grid Attention (STGA) for locally consistent cross-view and temporal fusion, and Context Token Propagation (CTP) for global propagation via token inheritance and optical-flow-guided token replacement. Together, these components allow Dynamic-eDiTor to perform seamless, globally consistent multi-view video without additional training and directly optimize pre-trained source 4DGS. Extensive experiments on multi-view video dataset DyNeRF demonstrate that our method achieves superior editing fidelity and both multi-view and temporal consistency prior approaches. Project page for results and code: https://di-lee.github.io/dynamic-eDiTor/

3D Visual Grounding (3DVG) focuses on locating objects in 3D scenes based on natural language descriptions, serving as a fundamental task for embodied AI and robotics. Recent advances in Multi-modal Large Language Models (MLLMs) have motivated research into extending them to 3DVG. However, MLLMs primarily process 2D visual inputs and struggle with understanding 3D spatial structure of scenes solely from these limited perspectives. Existing methods mainly utilize viewpoint-dependent rendering of reconstructed point clouds to provide explicit structural guidance for MLLMs in 3DVG tasks, leading to inefficiency and limited spatial reasoning. To address this issue, we propose S$^2$-MLLM, an efficient framework that enhances spatial reasoning in MLLMs through implicit spatial reasoning. We introduce a spatial guidance strategy that leverages the structure awareness of feed-forward 3D reconstruction. By acquiring 3D structural understanding during training, our model can implicitly reason about 3D scenes without relying on inefficient point cloud reconstruction. Moreover, we propose a structure-enhanced module (SE), which first employs intra-view and inter-view attention mechanisms to capture dependencies within views and correspondences across views. The module further integrates multi-level position encoding to associate visual representations with spatial positions and viewpoint information, enabling more accurate structural understanding. Extensive experiments demonstrate that S$^2$-MLLM unifies superior performance, generalization, and efficiency, achieving significant performance over existing methods across the ScanRefer, Nr3D, and Sr3D datasets. Code will be available upon acceptance.

Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body interactions, can provide accurate approximations of the potential of mean force (PMF) in CG models. Current CG MLPs are typically trained in a bottom-up manner via force matching, which in practice relies on configurations sampled from the unbiased equilibrium Boltzmann distribution to ensure thermodynamic consistency. This convention poses two key limitations: first, sufficiently long atomistic trajectories are needed to reach convergence; and second, even once equilibrated, transition regions remain poorly sampled. To address these issues, we employ enhanced sampling to bias along CG degrees of freedom for data generation, and then recompute the forces with respect to the unbiased potential. This strategy simultaneously shortens the simulation time required to produce equilibrated data and enriches sampling in transition regions, while preserving the correct PMF. We demonstrate its effectiveness on the Müller-Brown potential and capped alanine, achieving notable improvements. Our findings support the use of enhanced sampling for force matching as a promising direction to improve the accuracy and reliability of CG MLPs.

Large vision foundation models have been widely adopted for retinal disease classification without systematic evidence justifying their parameter requirements. In the present work we address two critical questions: First, are large domain-specific foundation models essential, or do compact general-purpose architectures suffice? Second, does specialized retinal pretraining justify its computational cost? To answer this, we benchmark initialization strategies across four retinal imaging classification tasks spanning Optical Coherence Tomography (OCT) and Color Fundus Photography (CFP) modalities: 8-class OCT classification, 3-class diabetic macular edema (DME), 5-class diabetic retinopathy (DR), and 3-class glaucoma (GL) detection. We evaluate 12-13 model configurations per task, including vision transformers (22.8M-86.6M parameters), Swin Transformers (27.6M-28.3M), ConvNeXt (28.6M), and the domain-specific RETFound models (303M), under identical training conditions. Our results challenge prevailing assumptions: First, we demonstrate that pretraining provides universal benefits (5.18-18.41% improvement), scaling with task difficulty. Second, compact architectures (27-29M) dominate Pareto frontiers; SwinV2-tiny achieves top-1 performance on three datasets. Third, RETFound (303M) justifies its computational cost only for challenging DR grading (accuracy of 71.15%), while ImageNet pretraining proves to be sufficient with all other tasks (DME accuracy: 99.24%, OCT accuracy: 97.96%). CFP tasks show larger pretraining accuracy gains (9.13-18.41%) than OCT (5.18%). Thus, the evidence suggests that compact general-purpose models deliver near-optimal performance for most retinal classification tasks; specialized foundation models warranted only for fine-grained discrimination under extreme class imbalance.

Understanding the physical world requires perceptual models grounded in physical laws rather than mere statistical correlations. However, existing multimodal learning frameworks, focused on vision and language, lack physical consistency and overlook the intrinsic causal relationships among an object's geometry, material, vibration modes, and the sounds it produces. We introduce VibraVerse, a large-scale geometry-acoustics alignment dataset that explicitly bridges the causal chain from 3D geometry -> physical attributes -> modal parameters -> acoustic signals. Each 3D model has explicit physical properties (density, Young's modulus, Poisson's ratio) and volumetric geometry, from which modal eigenfrequencies and eigenvectors are computed for impact sound synthesis under controlled excitations. To establish this coherence, we introduce CLASP, a contrastive learning framework for cross-modal alignment that preserves the causal correspondence between an object's physical structure and its acoustic response. This framework enforces physically consistent alignment across modalities, ensuring that every sample is coherent, traceable to the governing equations, and embedded within a unified representation space spanning shape, image, and sound. Built upon VibraVerse, we define a suite of benchmark tasks for geometry-to-sound prediction, sound-guided shape reconstruction, and cross-modal representation learning. Extensive validations on these tasks demonstrate that models trained on VibraVerse exhibit superior accuracy, interpretability, and generalization across modalities. These results establish VibraVerse as a benchmark for physically consistent and causally interpretable multimodal learning, providing a foundation for sound-guided embodied perception and a deeper understanding of the physical world. The dataset will be open-sourced.

Large language models (LLMs) are increasingly adopted in clinical decision support, yet aligning them with the multifaceted reasoning pathways of real-world medicine remains a major challenge. Using more than 8,000 infertility treatment records, we systematically evaluate four alignment strategies: Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), Group Relative Policy Optimization (GRPO), and In-Context Learning (ICL) through a dual-layer framework combining automatic benchmarks with blinded doctor-in-the-loop assessments. GRPO achieves the highest algorithmic accuracy across multiple decision layers, confirming the value of reinforcement-based optimization for structured prediction tasks. However, clinicians consistently prefer the SFT model, citing clearer reasoning processes (p = 0.035) and higher therapeutic feasibility (p = 0.019). In blinded pairwise comparisons, SFT attains the highest winning rate (51.2%), outperforming both GRPO (26.2%) and even physicians' original decisions (22.7%). These results reveal an alignment paradox: algorithmic improvements do not necessarily translate into higher clinical trust, and may diverge from human-centered preferences. Our findings highlight the need for alignment strategies that prioritize clinically interpretable and practically feasible reasoning, rather than solely optimizing decision-level accuracy.