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Recent advancements in computational chemistry have increasingly focused on synthesizing molecules based on textual instructions. Integrating graph generation with these instructions is complex, leading most current methods to use molecular…

Machine Learning · Computer Science 2025-08-27 Yuran Xiang , Haiteng Zhao , Chang Ma , Zhi-Hong Deng

Quantitative Susceptibility Mapping (QSM) dipole inversion is an ill-posed inverse problem for quantifying magnetic susceptibility distributions from MRI tissue phases. While supervised deep learning methods have shown success in specific…

Image and Video Processing · Electrical Eng. & Systems 2024-03-22 Zhuang Xiong , Wei Jiang , Yang Gao , Feng Liu , Hongfu Sun

Lensless fiber endomicroscope is an emerging tool for in-vivo microscopic imaging, where quantitative phase imaging (QPI) can be utilized as a label-free method to enhance image contrast. However, existing single-shot phase reconstruction…

Diffusion models have emerged as the state-of-the-art for image generation, among other tasks. Here, we present an efficient diffusion-based model for 3D-aware generation of neural fields. Our approach pre-processes training data, such as…

Computer Vision and Pattern Recognition · Computer Science 2022-12-01 J. Ryan Shue , Eric Ryan Chan , Ryan Po , Zachary Ankner , Jiajun Wu , Gordon Wetzstein

Despite the plethora of deep learning frameworks for flow field prediction, most of them deal with flow fields on regular domains, and although the best ones can cope with irregular domains, they mostly rely on graph networks, so that real…

Machine Learning · Computer Science 2024-08-14 Laurent de Vito , Nils Pinnau , Simone Dey

Pre-trained diffusion models have demonstrated remarkable proficiency in synthesizing images across a wide range of scenarios with customizable prompts, indicating their effective capacity to capture universal features. Motivated by this,…

Computer Vision and Pattern Recognition · Computer Science 2024-11-22 Yuxiang Ji , Boyong He , Chenyuan Qu , Zhuoyue Tan , Chuan Qin , Liaoni Wu

Molecules have various computational representations, including numerical descriptors, strings, graphs, point clouds, and surfaces. Each representation method enables the application of various machine learning methodologies from linear…

Machine Learning · Computer Science 2025-02-18 Jirka Lhotka , Daniel Probst

Graph Neural Networks (GNNs) have demonstrated impressive performance in learning representations from graph-structured data. However, their message-passing mechanism inherently relies on the assumption of label consistency among connected…

Machine Learning · Computer Science 2026-04-28 Taihua Xu , Genhao Tian , Jicong Fan , Xibei Yang , Qinghua Zhang , Yun Cui

Automatically generating high-quality real world 3D scenes is of enormous interest for applications such as virtual reality and robotics simulation. Towards this goal, we introduce NeuralField-LDM, a generative model capable of synthesizing…

Computer Vision and Pattern Recognition · Computer Science 2023-04-20 Seung Wook Kim , Bradley Brown , Kangxue Yin , Karsten Kreis , Katja Schwarz , Daiqing Li , Robin Rombach , Antonio Torralba , Sanja Fidler

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of…

Machine Learning · Computer Science 2024-06-04 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Recently, Hyperspectral Image (HSI) classification has attracted increasing attention in remote sensing. However, HSI data are inherently high-dimensional but low-rank, with discriminative information concentrated on a low-dimensional…

Computer Vision and Pattern Recognition · Computer Science 2026-04-30 Boxiang Yang , Ning Chen , Xia Yue , Yichang Luo , Yingbo Fan , Haoyuan Zhang , Haoyu Ma , Jun Yue , Shanjun Mao

Brain network analysis has emerged as pivotal method for gaining a deeper understanding of brain functions and disease mechanisms. Despite the existence of various network construction approaches, shortcomings persist in the learning of…

Computer Vision and Pattern Recognition · Computer Science 2023-11-10 Yongcheng Zong , Shuqiang Wang

We study the problem of reconstructing 3D feature curves of an object from a set of calibrated multi-view images. To do so, we learn a neural implicit field representing the density distribution of 3D edges which we refer to as Neural Edge…

Computer Vision and Pattern Recognition · Computer Science 2023-03-17 Yunfan Ye , Renjiao Yi , Zhirui Gao , Chenyang Zhu , Zhiping Cai , Kai Xu

With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…

Machine Learning · Computer Science 2023-06-13 Yuwen Deng , Wang Kang , Wei W. Xing

Recommender systems rely on Collaborative Filtering (CF) to predict user preferences by leveraging patterns in historical user-item interactions. While traditional CF methods primarily focus on learning compact vector embeddings for users…

Information Retrieval · Computer Science 2025-01-29 Darnbi Sakong , Thanh Trung Huynh , Jun Jo

We introduce a general, scalable computational framework for multi-axis 3D printing based on implicit neural fields (INFs) that unifies all stages of toolpath generation and global collision-free motion planning. In our pipeline, input…

Robotics · Computer Science 2025-09-09 Jiasheng Qu , Zhuo Huang , Dezhao Guo , Hailin Sun , Aoran Lyu , Chengkai Dai , Yeung Yam , Guoxin Fang

We present Diff3F as a simple, robust, and class-agnostic feature descriptor that can be computed for untextured input shapes (meshes or point clouds). Our method distills diffusion features from image foundational models onto input shapes.…

Computer Vision and Pattern Recognition · Computer Science 2024-04-04 Niladri Shekhar Dutt , Sanjeev Muralikrishnan , Niloy J. Mitra

Diffusion models have shown great promise for image generation, beating GANs in terms of generation diversity, with comparable image quality. However, their application to 3D shapes has been limited to point or voxel representations that…

Computer Vision and Pattern Recognition · Computer Science 2022-12-16 Gimin Nam , Mariem Khlifi , Andrew Rodriguez , Alberto Tono , Linqi Zhou , Paul Guerrero

Diffusion MRI (dMRI) is the primary imaging modality used to study brain microstructure in vivo. Reliable and computationally efficient parameter inference for common dMRI biophysical models is a challenging inverse problem, due to factors…

Image and Video Processing · Electrical Eng. & Systems 2025-03-03 William Consagra , Lipeng Ning , Yogesh Rathi

Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative…

Machine Learning · Computer Science 2022-03-16 Minkai Xu , Lantao Yu , Yang Song , Chence Shi , Stefano Ermon , Jian Tang
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