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Recent advances in molecular generative models have demonstrated great promise for accelerating scientific discovery, particularly in drug design. However, these models often struggle to generate high-quality molecules, especially in…

Machine Learning · Computer Science 2025-07-29 Zian Li , Cai Zhou , Xiyuan Wang , Xingang Peng , Muhan Zhang

Graph representation learning on vast datasets, like web data, has made significant strides. However, the associated computational and storage overheads raise concerns. In sight of this, Graph condensation (GCond) has been introduced to…

Machine Learning · Computer Science 2024-02-12 Junfeng Fang , Xinglin Li , Yongduo Sui , Yuan Gao , Guibin Zhang , Kun Wang , Xiang Wang , Xiangnan He

We propose a geometric latent-subspace framework for generative modeling of discrete data. Specifically, we introduce latent subspaces in the exponential parameter space of product manifolds of categorical distributions as a novel method…

Machine Learning · Statistics 2026-05-08 Daniel Gonzalez-Alvarado , Jonas Cassel , Stefania Petra , Christoph Schnörr

Due to the substantial scale of Large Language Models (LLMs), the direct application of conventional compression methodologies proves impractical. The computational demands associated with even minimal gradient updates present challenges,…

Machine Learning · Computer Science 2023-12-13 Arnav Chavan , Nahush Lele , Deepak Gupta

This work presents an approach for automating the discretization and approximation procedures in constructing digital representations of composites from Micro-CT images featuring intricate microstructures. The proposed method is guided by…

Machine Learning · Computer Science 2025-09-11 Yanran Wang , Jonghyuk Baek , Yichun Tang , Jing Du , Mike Hillman , J. S. Chen

Diffusion models have recently demonstrated strong performance for image restoration tasks, including super-resolution. However, their large model size and iterative sampling procedures make them computationally expensive for practical…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Sowmya Vajrala , Akshay Bankar , Manjunath Arveti , Shreyas Pandith , Sravanth Kodavanti , Subhajit Sanyal , Amit Unde , Srinivas Soumitri Miriyala

Data visualization through isosurface generation is critical in various scientific fields, including computational fluid dynamics, medical imaging, and geophysics. However, the high cost of data sharing between simulation sources and…

Graphics · Computer Science 2024-09-25 Yanliang Li , Jieyang Chen

Traditional image codecs emphasize signal fidelity and human perception, often at the expense of machine vision tasks. Deep learning methods have demonstrated promising coding performance by utilizing rich semantic embeddings optimized for…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Sha Guo , Zhuo Chen , Yang Zhao , Ning Zhang , Xiaotong Li , Lingyu Duan

Diffusion models have achieved remarkable success in text-to-image generation, enabling the creation of high-quality images from text prompts or other modalities. However, existing methods for customizing these models are limited by…

Computer Vision and Pattern Recognition · Computer Science 2023-07-04 Ligong Han , Yinxiao Li , Han Zhang , Peyman Milanfar , Dimitris Metaxas , Feng Yang

Inverse design of high-resolution and fine-detailed 3D lightweight mechanical structures is notoriously expensive due to the need for vast computational resources and the use of very fine-scaled complex meshes. Furthermore, in designing for…

Modern 3D generation methods can rapidly create shapes from sparse or single views, but their outputs often lack geometric detail due to computational constraints. We present DetailGen3D, a generative approach specifically designed to…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Ken Deng , Yuan-Chen Guo , Jingxiang Sun , Zi-Xin Zou , Yangguang Li , Xin Cai , Yan-Pei Cao , Yebin Liu , Ding Liang

Markov Chain Monte Carlo (MCMC) algorithms play an important role in statistical inference problems dealing with intractable probability distributions. Recently, many MCMC algorithms such as Hamiltonian Monte Carlo (HMC) and Riemannian…

Computation · Statistics 2017-04-19 Cheng Zhang , Babak Shahbaba , Hongkai Zhao

Reconstruction of geometry based on different input modes, such as images or point clouds, has been instrumental in the development of computer aided design and computer graphics. Optimal implementations of these applications have…

Computer Vision and Pattern Recognition · Computer Science 2019-01-15 Jun Gao , Chengcheng Tang , Vignesh Ganapathi-Subramanian , Jiahui Huang , Hao Su , Leonidas J. Guibas

The failure of heterogeneous materials with microstructures is a complex process of damage nucleation, growth and localisation. This process spans multiple length scales and is challenging to simulate numerically due to its high…

Materials Science · Physics 2023-05-24 Philip P. Müller , Falk K. Wittel , David S. Kammer

Understanding the nature of human sketches is challenging because of the wide variation in how they are created. Recognizing complex structural patterns improves both the accuracy in recognizing sketches and the fidelity of the generated…

Computer Vision and Pattern Recognition · Computer Science 2025-03-31 Giulio Federico , Giuseppe Amato , Fabio Carrara , Claudio Gennaro , Marco Di Benedetto

A challenge in isogeometric analysis is constructing analysis-suitable volumetric meshes which can accurately represent the geometry of a given physical domain. In this paper, we propose a method to derive a spline-based representation of a…

Graphics · Computer Science 2017-03-22 Chiu Ling Chan , Cosmin Anitescu , Timon Rabczuk

Learning based video compression attracts increasing attention in the past few years. The previous hybrid coding approaches rely on pixel space operations to reduce spatial and temporal redundancy, which may suffer from inaccurate motion…

Image and Video Processing · Electrical Eng. & Systems 2021-08-24 Zhihao Hu , Guo Lu , Dong Xu

Recent advances in 3D generative models have shown promising results but often fall short in capturing the complexity of architectural geometries and topologies and fine geometric details at high resolutions. To tackle this, we present…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 S. Rasoulzadeh , M. Bank , I. Kovacic , K. Schinegger , S. Rutzinger , M. Wimmer

A micromorphic computational homogenization framework has recently been developed to deal with materials showing long-range correlated interactions, i.e. displaying patterning modes. Typical examples of such materials are elastomeric…

Soft Condensed Matter · Physics 2024-06-21 S. Maraghechi , O. Rokoš , R. H. J. Peerlings , M. G. D. Geers , J. P. M. Hoefnagels

Variational design is a well-recognized CAD technique due to the increased design efficiency. It often presents as a parametric family of CAD models. Although effective, this way of working cannot handle design requirements that go beyond…

Methodology · Statistics 2022-01-11 Qiang Zou , Qiqiang Zheng , Zhihong Tang , Shuming Gao