arXiv subjects

Xiangyu Sun

Publications and source records attributed to Xiangyu Sun.

At least 19 recordsLinked to original sources

arXiv2026

On the Importance of Geometric Nonlinearity and Temperature-Dependent Properties in Multi-Material Thermo-Mechanical Topology Optimization

Thermo-mechanical compliant devices are commonly designed with small-strain linear elasticity and temperature-independent material properties, even though they might operate hundreds of kelvin above ambient where both assumptions are questionable. In this work, we quantify the effect and cost of each assumption in multi-material topology optimization of thermally actuated compliant devices. To this end, we introduce a physics-informed, simultaneous analysis-and-design framework with (i) a finite-strain quadratic-Hencky (logarithmic-strain) constitutive model whose isotropic thermal eigenstrain admits an exact additive split in log-strain space, and (ii) temperature-dependent conductivity, thermal expansion, and elastic moduli for a titanium--copper--steel material system. We optimize a thermal actuator and a thermal gripper at three design temperatures under both a baseline model and the full physics, subject to mass and manufacturability constraints. Every converged design is re-evaluated by verified nonlinear finite element solvers in the full factorial of constitutive law and property model. The comparison between the two factors reveals that the constitutive law is the decisive modeling choice: These devices work as linkages where linear kinematics mistakes rotation for compressive strain; its error therefore grows with the design temperature and concentrates on the very layouts that exploit rotation best. Because a linear optimizer also steers away from the rotation-rich mechanisms that would expose this bias, the model can deceptively appear trustworthy when validated against its own designs. Designing with the full physics yields consistently stronger and more temperature-robust devices at a modest increase in design-time cost.

cond-mat.mtrl-sci↗

arXiv2026

Scene-SAM3D: Multi-View Scene Asset Generation Without Fine-Tuning

High-quality 3D scene assets are critical for embodied applications such as robotic manipulation, navigation, and simulation. Despite their strong object priors, recent single-image 3D generation models such as SAM3D remain insufficient for real-world scenes, where severe occlusions, redundant observations, and cross-view inconsistencies make reliable scene generation challenging. We introduce Scene-SAM3D, a training-free framework that extends SAM3D from single-view object generation to calibrated multi-view scene asset generation. Scene-SAM3D selects a compact set of complementary views, reducing observation redundancy while providing additional evidence for regions occluded in individual views. Based on the selected views, it performs step-efficient latent velocity fusion to integrate multi-view evidence and suppress cross-view conflicts in canonical space. Finally, a lightweight rigid-object Gaussian optimization refines the scene layout within 200 iterations while preserving the generated object geometry. Experiments on Replica and ScanNet++ demonstrate consistent improvements at both instance and scene levels, with our method reducing scene-level CD by 43.8% on Replica and 30.9% on ScanNet++, while cutting flow-model sampling FLOPs and wall-time latency by nearly 20% under the same multi-view setting. Code will be released at https://github.com/xibi777/Scene-SAM3D.

cs.CV↗

arXiv2026

NoDrift3R: Raymap-Guided Coupling for Drift-Robust Unposed Feed-Forward 3D Reconstruction

Pose-Free Feed-forward 3D Gaussian Splatting (3DGS) has recently emerged as a powerful paradigm for fast scene reconstruction. However, its performance degrades significantly in long image sequences due to cumulative camera pose estimation drift, which propagates errors into geometric modeling and severely limits rendering fidelity. In this work, we revisit the long-sequence bottleneck and identify pose drift as the primary factor restricting reconstruction quality. Furthermore, while SfM-based pseudo ground-truth poses introduce sensor noise, purely rendering-based supervision often leads to optimization instability and local minima due to the entangled optimization of geometry and pose. To address the challenges, we propose a synergistic pose-free framework that explicitly couples geometry and appearance via a Raymap-Guided Coupling Module (RGC). Concretely, we anchor Gaussian centers to raymap-induced geometry and jointly optimize RGB reconstruction, raymap consistency, and camera regularization under a unified objective, yielding a bidirectional feedback loop: stronger geometry improves rendering, and appearance supervision in turn refines geometry and pose. To further stabilize learning across wide temporal ranges, we introduce a Dual-Frequency Viewpoint Scheduling strategy that combines easy-to-hard interval expansion with replay of short-interval pairs. Extensive experiments across in-domain and cross-domain datasets show consistent gains in both rendering and pose estimation, with notably improved robustness on long sequences. Ablation studies validate our central insight: explicitly designed geometry-appearance synergy is the key to scalable and drift-robust pose-free feed-forward 3D reconstruction. Project page: https://xiangyu1sun.github.io/NoDrift3R-project-page/

cs.CV↗

arXiv2026

MolClaw: An Autonomous Agent with Hierarchical Skills for Drug Molecule Evaluation, Screening, and Optimization

Computational drug discovery, particularly the complex workflows of drug molecule screening and optimization, requires orchestrating dozens of specialized tools in multi-step workflows, yet current AI agents struggle to maintain robust performance and consistently underperform in these high-complexity scenarios. Here we present MolClaw, an autonomous agent that leads drug molecule evaluation, screening, and optimization. It unifies over 30 specialized domain resources through a three-tier hierarchical skill architecture (70 skills in total) that facilitates agent long-term interaction at runtime: tool-level skills standardize atomic operations, workflow-level skills compose them into validated pipelines with quality check and reflection, and a discipline-level skill supplies scientific principles governing planning and verification across all scenarios in the field. Additionally, we introduce MolBench, a benchmark comprising molecular screening, optimization, and end-to-end discovery challenges spanning 8 to 50+ sequential tool calls. MolClaw achieves state-of-the-art performance across all metrics, and ablation studies confirm that gains concentrate on tasks that demand structured workflows while vanishing on those solvable with ad hoc scripting, establishing workflow orchestration competence as the primary capability bottleneck for AI-driven drug discovery.

cs.AI↗

arXiv2026

2Xplat: Decoupling Geometry and Appearance Modeling for Feed-Forward 3D Gaussian Splatting

Pose-free feed-forward 3D Gaussian Splatting (3DGS) has opened a new frontier for rapid 3D modeling, enabling high-quality Gaussian representations to be generated from uncalibrated multi-view images in a single forward pass. The dominant approach adopts unified monolithic architectures, often built on geometry-centric 3D foundation models, to jointly estimate camera poses and synthesize 3DGS representations within a single network, entangling geometric reasoning and appearance modeling within a shared representation. In this work, we introduce 2Xplat, a pose-free feed-forward 3DGS framework based on a two-experts design that explicitly separates geometry estimation from Gaussian generation: a dedicated geometry expert first predicts camera poses, which are then passed to an appearance expert that synthesizes 3D Gaussians. Despite its conceptual simplicity, and being largely underexplored in prior works, our two-experts pipeline outperforms prior pose-free feed-forward 3DGS approaches in fewer than 5K training iterations, achieving performance on par with state-of-the-art posed methods. These results challenge the prevailing unified paradigm and suggest the potential advantages of modular design for complex 3D geometric estimation and appearance synthesis tasks.

cs.CV↗

arXiv2026

VGGT-World: Transforming VGGT into an Autoregressive Geometry World Model

World models that forecast scene evolution by generating future video frames devote the bulk of their capacity to photometric details, yet the resulting predictions often remain geometrically inconsistent. We present VGGT-World, a geometry world model that side-steps video generation entirely and instead forecasts the temporal evolution of frozen geometry-foundation-model (GFM) features. Concretely, we repurpose the latent tokens of a frozen VGGT as the world state and train a lightweight temporal flow transformer to autoregressively predict their future trajectory. Two technical challenges arise in this high-dimensional (d=1024) feature space: (i) standard velocity-prediction flow matching collapses, and (ii) autoregressive rollout suffers from compounding exposure bias. We address the first with a clean-target (z-prediction) parameterization that yields a substantially higher signal-to-noise ratio, and the second with a two-stage latent flow-forcing curriculum that progressively conditions the model on its own partially denoised rollouts. Experiments on KITTI, Cityscapes, and TartanAir demonstrate that VGGT-World significantly outperforms the strongest baselines in depth forecasting while running 3.6-5 times faster with only 0.43B trainable parameters, establishing frozen GFM features as an effective and efficient predictive state for 3D world modeling.

cs.CV↗

arXiv2026

Multi-material Multi-physics Topology Optimization with Physics-informed Gaussian Process Priors

Machine learning (ML) has been increasingly used for topology optimization (TO). However, most existing ML-based approaches focus on simplified benchmark problems due to their high computational cost, spectral bias, and difficulty in handling complex physics. These limitations become more pronounced in multi-material, multi-physics problems whose objective or constraint functions are not self-adjoint. To address these challenges, we propose a framework based on physics-informed Gaussian processes (PIGPs). In our approach, the primary, adjoint, and design variables are represented by independent GP priors whose mean functions are parametrized via neural networks whose architectures are particularly beneficial for surrogate modeling of PDE solutions. We estimate all parameters of our model simultaneously by minimizing a loss that is based on the objective function, multi-physics potential energy functionals, and design-constraints. We demonstrate the capability of the proposed framework on benchmark TO problems such as compliance minimization, heat conduction optimization, and compliant mechanism design under single- and multi-material settings. Additionally, we leverage thermo-mechanical TO with single- and multi-material options as a representative multi-physics problem. We also introduce differentiation and integration schemes that dramatically accelerate the training process. Our results demonstrate that the proposed PIGP framework can effectively solve coupled multi-physics and design problems simultaneously -- generating super-resolution topologies with sharp interfaces and physically interpretable material distributions. We validate these results using open-source codes and the commercial software package COMSOL.

cs.LG↗

arXiv2025

Uni3R: Unified 3D Reconstruction and Semantic Understanding via Generalizable Gaussian Splatting from Unposed Multi-View Images

Reconstructing and semantically interpreting 3D scenes from sparse 2D views remains a fundamental challenge in computer vision. Conventional methods often decouple semantic understanding from reconstruction or necessitate costly per-scene optimization, thereby restricting their scalability and generalizability. In this paper, we introduce Uni3R, a novel feed-forward framework that jointly reconstructs a unified 3D scene representation enriched with open-vocabulary semantics, directly from unposed multi-view images. Our approach leverages a Cross-View Transformer to robustly integrate information across arbitrary multi-view inputs, which then regresses a set of 3D Gaussian primitives endowed with semantic feature fields. This unified representation facilitates high-fidelity novel view synthesis, open-vocabulary 3D semantic segmentation, and depth prediction, all within a single, feed-forward pass. Extensive experiments demonstrate that Uni3R establishes a new state-of-the-art across multiple benchmarks, including 25.07 PSNR on RE10K and 55.84 mIoU on ScanNet. Our work signifies a novel paradigm towards generalizable, unified 3D scene reconstruction and understanding. The code is available at https://github.com/HorizonRobotics/Uni3R.

cs.CV↗

arXiv2025

iLRM: An Iterative Large 3D Reconstruction Model

Feed-forward 3D modeling has emerged as a promising approach for rapid and high-quality 3D reconstruction. In particular, directly generating explicit 3D representations, such as 3D Gaussian splatting, has attracted significant attention due to its fast and high-quality rendering. However, many state-of-the-art methods, primarily based on transformer architectures, suffer from severe scalability issues because they rely on full attention across image tokens from multiple input views, resulting in prohibitive computational costs as the number of views or image resolution increases. Toward a scalable and efficient feed-forward 3D reconstruction, we introduce an iterative Large 3D Reconstruction Model (iLRM) that generates 3D Gaussian representations through an iterative refinement mechanism, guided by three core principles: (1) decoupling the scene representation from input images to enable compact 3D representations; (2) decomposing global multi-view interactions into a two-stage attention scheme to reduce computational costs; and (3) injecting high-resolution information at every layer to achieve high-fidelity reconstruction. Experimental results on widely used datasets, such as RE10K and DL3DV, demonstrate that iLRM outperforms existing methods in both reconstruction quality and speed.

cs.CV↗

arXiv2025

Compliance Minimization via Physics-Informed Gaussian Processes

Machine learning (ML) techniques have recently gained significant attention for solving compliance minimization (CM) problems. However, these methods typically provide poor feature boundaries, are very expensive, and lack a systematic mechanism to control the design complexity. Herein, we address these limitations by proposing a mesh-free and simultaneous framework based on physics-informed Gaussian processes (GPs). In our approach, we parameterize the design and state variables with GP priors which have independent kernels but share a multi-output neural network (NN) as their mean function. The architecture of this NN is based on Parametric Grid Convolutional Attention Networks (PGCANs) which not only mitigate spectral bias issues, but also provide an interpretable mechanism to control design complexity. We estimate all the parameters of our GP-based representations by simultaneously minimizing the compliance, total potential energy, and residual of volume fraction constraint. Importantly, our loss function exclude all data-based residuals as GPs automatically satisfy them. We also develop computational schemes based on curriculum training and numerical integration to increase the efficiency and robustness of our approach which is shown to (1) produce super-resolution topologies with fast convergence, (2) achieve comparable compliance and less gray area fraction compared to traditional numerical methods, (3) provide control over fine-scale features, and (4) outperform competing ML-based methods.

cs.LG↗

arXiv2025

Intern-GS: Vision Model Guided Sparse-View 3D Gaussian Splatting

Sparse-view scene reconstruction often faces significant challenges due to the constraints imposed by limited observational data. These limitations result in incomplete information, leading to suboptimal reconstructions using existing methodologies. To address this, we present Intern-GS, a novel approach that effectively leverages rich prior knowledge from vision foundation models to enhance the process of sparse-view Gaussian Splatting, thereby enabling high-quality scene reconstruction. Specifically, Intern-GS utilizes vision foundation models to guide both the initialization and the optimization process of 3D Gaussian splatting, effectively addressing the limitations of sparse inputs. In the initialization process, our method employs DUSt3R to generate a dense and non-redundant gaussian point cloud. This approach significantly alleviates the limitations encountered by traditional structure-from-motion (SfM) methods, which often struggle under sparse-view constraints. During the optimization process, vision foundation models predict depth and appearance for unobserved views, refining the 3D Gaussians to compensate for missing information in unseen regions. Extensive experiments demonstrate that Intern-GS achieves state-of-the-art rendering quality across diverse datasets, including both forward-facing and large-scale scenes, such as LLFF, DTU, and Tanks and Temples.

cs.CV↗

arXiv2025

TabReason: A Reinforcement Learning-Enhanced Reasoning LLM for Explainable Tabular Data Prediction

Predictive modeling on tabular data is the cornerstone of many real-world applications. Although gradient boosting machines and some recent deep models achieve strong performance on tabular data, they often lack interpretability. On the other hand, large language models (LLMs) have demonstrated powerful capabilities to generate human-like reasoning and explanations, but remain under-performed for tabular data prediction. In this paper, we propose a new approach that leverages reasoning-based LLMs, trained using reinforcement learning, to perform more accurate and explainable predictions on tabular data. Our method introduces custom reward functions that guide the model not only toward better prediction accuracy but also toward human-understandable reasons for its predictions. The proposed method is evaluated on financial benchmark datasets and compared against established LLMs.

cs.LG↗

arXiv2025

Should We Simultaneously Calibrate Multiple Computer Models?

In an increasing number of applications designers have access to multiple computer models which typically have different levels of fidelity and cost. Traditionally, designers calibrate these models one at a time against some high-fidelity data (e.g., experiments). In this paper, we question this tradition and assess the potential of calibrating multiple computer models at the same time. To this end, we develop a probabilistic framework that is founded on customized neural networks (NNs) that are designed to calibrate an arbitrary number of computer models. In our approach, we (1) consider the fact that most computer models are multi-response and that the number and nature of calibration parameters may change across the models, and (2) learn a unique probability distribution for each calibration parameter of each computer model, (3) develop a loss function that enables our NN to emulate all data sources while calibrating the computer models, and (4) aim to learn a visualizable latent space where model-form errors can be identified. We test the performance of our approach on analytic and engineering problems to understand the potential advantages and pitfalls in simultaneous calibration of multiple computer models. Our method can improve predictive accuracy, however, it is prone to non-identifiability issues in higher-dimensional input spaces that are normally constrained by underlying physics.

cs.LG↗

arXiv2025

Localized Physics-informed Gaussian Processes with Curriculum Training for Topology Optimization

We introduce a simultaneous and meshfree topology optimization (TO) framework based on physics-informed Gaussian processes (GPs). Our framework endows all design and state variables via GP priors which have a shared, multi-output mean function that is parametrized via a customized deep neural network (DNN). The parameters of this mean function are estimated by minimizing a multi-component loss function that depends on the performance metric, design constraints, and the residuals on the state equations. Our TO approach yields well-defined material interfaces and has a built-in continuation nature that promotes global optimality. Other unique features of our approach include (1) its customized DNN which, unlike fully connected feed-forward DNNs, has a localized learning capacity that enables capturing intricate topologies and reducing residuals in high gradient fields, (2) its loss function that leverages localized weights to promote solution accuracy around interfaces, and (3) its use of curriculum training to avoid local optimality.To demonstrate the power of our framework, we validate it against commercial TO package COMSOL on three problems involving dissipated power minimization in Stokes flow.

cs.LG↗

arXiv2025

Test-Time 3D Occupancy Prediction

Self-supervised 3D occupancy prediction offers a promising solution for understanding complex driving scenes without requiring costly 3D annotations. However, training dense occupancy decoders to capture fine-grained geometry and semantics can demand hundreds of GPU hours, and once trained, such models struggle to adapt to varying voxel resolutions or novel object categories without extensive retraining. To overcome these limitations, we propose a practical and flexible test-time occupancy prediction framework termed TT-Occ. Our method incrementally constructs, optimizes, and voxelizes time-aware 3D Gaussians from raw sensor streams by integrating vision foundation models (VFMs) at runtime. The flexible representation of 3D Gaussians enables voxelization at arbitrary user-specified resolutions, while the strong generalization capability of VFMs supports accurate perception and open-vocabulary recognition without requiring any network training or fine-tuning. To validate the generality and effectiveness of our framework, we present two variants: a LiDAR-based version and a vision-centric version, and conduct extensive experiments on the Occ3D-nuScenes and nuCraft benchmarks under varying voxel resolutions. Experimental results show that TT-Occ significantly outperforms existing computationally expensive pretrained self-supervised counterparts. Code is available at https://github.com/Xian-Bei/TT-Occ.

cs.CV↗

arXiv2025

Fairness Analysis of CLIP-Based Foundation Models for X-Ray Image Classification

X-ray imaging is pivotal in medical diagnostics, offering non-invasive insights into a range of health conditions. Recently, vision-language models, such as the Contrastive Language-Image Pretraining (CLIP) model, have demonstrated potential in improving diagnostic accuracy by leveraging large-scale image-text datasets. However, since CLIP was not initially designed for medical images, several CLIP-like models trained specifically on medical images have been developed. Despite their enhanced performance, issues of fairness - particularly regarding demographic attributes - remain largely unaddressed. In this study, we perform a comprehensive fairness analysis of CLIP-like models applied to X-ray image classification. We assess their performance and fairness across diverse patient demographics and disease categories using zero-shot inference and various fine-tuning techniques, including Linear Probing, Multilayer Perceptron (MLP), Low-Rank Adaptation (LoRA), and full fine-tuning. Our results indicate that while fine-tuning improves model accuracy, fairness concerns persist, highlighting the need for further fairness interventions in these foundational models.

cs.CV↗

arXiv2024

OVGaussian: Generalizable 3D Gaussian Segmentation with Open Vocabularies

Open-vocabulary scene understanding using 3D Gaussian (3DGS) representations has garnered considerable attention. However, existing methods mostly lift knowledge from large 2D vision models into 3DGS on a scene-by-scene basis, restricting the capabilities of open-vocabulary querying within their training scenes so that lacking the generalizability to novel scenes. In this work, we propose \textbf{OVGaussian}, a generalizable \textbf{O}pen-\textbf{V}ocabulary 3D semantic segmentation framework based on the 3D \textbf{Gaussian} representation. We first construct a large-scale 3D scene dataset based on 3DGS, dubbed \textbf{SegGaussian}, which provides detailed semantic and instance annotations for both Gaussian points and multi-view images. To promote semantic generalization across scenes, we introduce Generalizable Semantic Rasterization (GSR), which leverages a 3D neural network to learn and predict the semantic property for each 3D Gaussian point, where the semantic property can be rendered as multi-view consistent 2D semantic maps. In the next, we propose a Cross-modal Consistency Learning (CCL) framework that utilizes open-vocabulary annotations of 2D images and 3D Gaussians within SegGaussian to train the 3D neural network capable of open-vocabulary semantic segmentation across Gaussian-based 3D scenes. Experimental results demonstrate that OVGaussian significantly outperforms baseline methods, exhibiting robust cross-scene, cross-domain, and novel-view generalization capabilities. Code and the SegGaussian dataset will be released. (https://github.com/runnanchen/OVGaussian).

cs.CV↗

arXiv2024

Generative Densification: Learning to Densify Gaussians for High-Fidelity Generalizable 3D Reconstruction

Generalized feed-forward Gaussian models have achieved significant progress in sparse-view 3D reconstruction by leveraging prior knowledge from large multi-view datasets. However, these models often struggle to represent high-frequency details due to the limited number of Gaussians. While the densification strategy used in per-scene 3D Gaussian splatting (3D-GS) optimization can be adapted to the feed-forward models, it may not be ideally suited for generalized scenarios. In this paper, we propose Generative Densification, an efficient and generalizable method to densify Gaussians generated by feed-forward models. Unlike the 3D-GS densification strategy, which iteratively splits and clones raw Gaussian parameters, our method up-samples feature representations from the feed-forward models and generates their corresponding fine Gaussians in a single forward pass, leveraging the embedded prior knowledge for enhanced generalization. Experimental results on both object-level and scene-level reconstruction tasks demonstrate that our method outperforms state-of-the-art approaches with comparable or smaller model sizes, achieving notable improvements in representing fine details.

cs.CV↗