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Geometric diffusion models have shown remarkable success in molecular dynamics and structure generation. However, efficiently fine-tuning them for downstream tasks with varying geometric controls remains underexplored. In this work, we…

机器学习 · 计算机科学 2025-07-04 Wanjia Zhao , Jiaqi Han , Siyi Gu , Mingjian Jiang , James Zou , Stefano Ermon

Advanced generative model (e.g., diffusion model) derived from simplified continuity assumptions of data distribution, though showing promising progress, has been difficult to apply directly to geometry generation applications due to the…

化学物理 · 物理学 2024-03-26 Yuxuan Song , Jingjing Gong , Yanru Qu , Hao Zhou , Mingyue Zheng , Jingjing Liu , Wei-Ying Ma

Diffusion Models represent a significant advancement in generative modeling, employing a dual-phase process that first degrades domain-specific information via Gaussian noise and restores it through a trainable model. This framework enables…

神经与进化计算 · 计算机科学 2024-11-21 Benedikt Hartl , Yanbo Zhang , Hananel Hazan , Michael Levin

Do contemporary diffusion models preserve the class geometry of hyperspherical data? Standard diffusion models rely on isotropic Gaussian noise in the forward process, inherently favoring Euclidean spaces. However, many real-world problems…

计算机视觉与模式识别 · 计算机科学 2025-06-13 Muskan Dosi , Chiranjeev Chiranjeev , Kartik Thakral , Mayank Vatsa , Richa Singh

Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are…

机器学习 · 计算机科学 2026-03-13 Yiming Huang , Tolga Birdal

Atomic diffusion affects the properties of various engineering materials, which predominantly occur in the polycrystalline state. A rigorous description of polycrystalline diffusion must therefore account for crystallographic defects,…

材料科学 · 物理学 2025-10-21 Lena Scholz , Yongliang Ou , Blazej Grabowski , Felix Fritzen

AI-driven geometric problem solving is a complex vision-language task that requires accurate diagram interpretation, mathematical reasoning, and robust cross-modal grounding. A foundational yet underexplored capability for this task is the…

机器学习 · 计算机科学 2025-09-26 Bing Liu , Wenqiang Yv , Xuzheng Yang , Shichang Wang , Junzhuo Liu , Peng Wang , Guoqing Wang , Yang Yang , Heng Tao Shen

The use of geospatially dependent information, which has been stipulated as a law in geography, to model geographic patterns forms the cornerstone of geostatistics, and has been inherited in many data science based techniques as well, such…

应用统计 · 统计学 2025-05-05 Jon Wang , Meng Lu

Vision-language models solve geometry problems with rising accuracy, yet their intermediate states remain latent and unverifiable: a relation expressed in textual reasoning or drawing code carries no guarantee that a constraint-satisfying…

计算机视觉与模式识别 · 计算机科学 2026-05-21 Juncheng Hu , Jiawei Du , Xin Zhang , Joey Tianyi Zhou

Predicting segregation of granular materials composed of different-sized particles is a challenging problem. In this paper, we develop and implement a theoretical model that captures the interplay between advection, segregation, and…

流体动力学 · 物理学 2014-03-07 Yi Fan , Conor P. Schlick , Paul B. Umbanhowar , Julio M. Ottino , Richard M. Lueptow

Recent learning-based visual localization methods use global descriptors to disambiguate visually similar places, but existing approaches often derive these descriptors from geometric cues alone (e.g., covisibility graphs), limiting their…

计算机视觉与模式识别 · 计算机科学 2026-01-09 Son Tung Nguyen , Alejandro Fontan , Michael Milford , Tobias Fischer

High-quality geometric diagram generation presents both a challenge and an opportunity: it demands strict spatial accuracy while offering well-defined constraints to guide generation. Inspired by recent advances in geometry problem solving…

计算机视觉与模式识别 · 计算机科学 2025-12-10 Xiaojing Wei , Ting Zhang , Wei He , Jingdong Wang , Hua Huang

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

机器学习 · 计算机科学 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun

Transferring visual style between images while preserving semantic correspondence between similar objects remains a central challenge in computer vision. While existing methods have made great strides, most of them operate at global level…

计算机视觉与模式识别 · 计算机科学 2026-04-02 Wenbo Nie , Zixiang Li , Renshuai Tao , Bin Wu , Yunchao Wei , Yao Zhao

Parametric Computer-Aided Design (CAD) is fundamental to modern 3D modeling, yet existing methods struggle to generate long command sequences, especially under complex geometric and topological dependencies. Transformer-based architectures…

计算机视觉与模式识别 · 计算机科学 2026-03-24 Xiaolei Zhou , Chuangjie Fang , Jie Wu , Jingyi Yang , Boyi Lin , Jianwei Zheng

Despite recent advances in leveraging generative prior from pre-trained diffusion models for 3D scene reconstruction, existing methods still face two critical limitations. First, due to the lack of reliable geometric supervision, they…

计算机视觉与模式识别 · 计算机科学 2026-02-27 Junfeng Ni , Yixin Chen , Zhifei Yang , Yu Liu , Ruijie Lu , Song-Chun Zhu , Siyuan Huang

Diffusion large language models promise faster generation by refining many token positions in parallel, but this parallelism introduces a hidden control problem: which proposed tokens should be transferred into the partially decoded…

计算与语言 · 计算机科学 2026-05-26 Bohang Sun , Max Zhu , Francesco Caso , Jindong Gu , Junchi Yu , Philip Torr , Pietro Liò , Jialin Yu

Diffusion-based voxel prior modelling is challenging for the reconstruction of large-scale 3D porous microstructures. Due to the demanding requirements for simultaneously modelling both the continuous pore morphology and the discrete…

计算机视觉与模式识别 · 计算机科学 2026-05-06 Yue Shi , Peng Wang , Mingzhe Yu , Yunlong Zhao , Li Liu , Gareth D Hatton , Yan Lyu , Liangxiu Han

Primordial non-Gaussianity introduces a scale-dependent variation in the clustering of density peaks corresponding to rare objects. This variation, parametrized by the bias, is investigated on scales where a linear perturbation theory is…

宇宙学与河外天体物理 · 物理学 2011-04-22 Sirichai Chongchitnan , Joseph Silk

Diffusion-based planning has shown promising results in long-horizon, sparse-reward tasks by training trajectory diffusion models and conditioning the sampled trajectories using auxiliary guidance functions. However, due to their nature as…

机器学习 · 计算机科学 2023-10-31 Kyowoon Lee , Seongun Kim , Jaesik Choi