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Binding affinity prediction of three-dimensional (3D) protein ligand complexes is critical for drug repositioning and virtual drug screening. Existing approaches transform a 3D protein-ligand complex to a two-dimensional (2D) graph, and…

Biomolecules · Quantitative Biology 2022-10-31 Yiqiang Yi , Xu Wan , Kangfei Zhao , Le Ou-Yang , Peilin Zhao

Gaussian Processes (GPs) are known to provide accurate predictions and uncertainty estimates even with small amounts of labeled data by capturing similarity between data points through their kernel function. However traditional GP kernels…

Machine Learning · Computer Science 2021-11-16 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

Gaussian process latent variable models (GPLVMs) are a versatile family of unsupervised learning models commonly used for dimensionality reduction. However, common challenges in modeling data with GPLVMs include inadequate kernel…

Machine Learning · Statistics 2024-06-19 Ying Li , Zhidi Lin , Feng Yin , Michael Minyi Zhang

Rolling bearings are subject to various faults due to its long-time operation under harsh environment, which will lead to unexpected breakdown of machinery system and cause severe accidents. Deep learning methods recently have gained…

Machine Learning · Computer Science 2021-09-21 Mingxuan Liang , Kai Zhou

We introduce Similarity Group Proposal Network (SGPN), a simple and intuitive deep learning framework for 3D object instance segmentation on point clouds. SGPN uses a single network to predict point grouping proposals and a corresponding…

Computer Vision and Pattern Recognition · Computer Science 2019-06-03 Weiyue Wang , Ronald Yu , Qiangui Huang , Ulrich Neumann

The goal of object detection is to determine the class and location of objects in an image. This paper proposes a novel anchor-free, two-stage framework which first extracts a number of object proposals by finding potential corner keypoint…

Computer Vision and Pattern Recognition · Computer Science 2020-07-29 Kaiwen Duan , Lingxi Xie , Honggang Qi , Song Bai , Qingming Huang , Qi Tian

We introduce G-CNN, an object detection technique based on CNNs which works without proposal algorithms. G-CNN starts with a multi-scale grid of fixed bounding boxes. We train a regressor to move and scale elements of the grid towards…

Computer Vision and Pattern Recognition · Computer Science 2016-04-27 Mahyar Najibi , Mohammad Rastegari , Larry S. Davis

Current remote sensing image classification problems have to deal with an unprecedented amount of heterogeneous and complex data sources. Upcoming missions will soon provide large data streams that will make land cover/use classification…

Machine Learning · Computer Science 2017-10-04 Pablo Morales-Alvarez , Adrian Perez-Suay , Rafael Molina , Gustau Camps-Valls

Automated brain lesions detection is an important and very challenging clinical diagnostic task because the lesions have different sizes, shapes, contrasts, and locations. Deep Learning recently has shown promising progress in many…

Computer Vision and Pattern Recognition · Computer Science 2018-01-08 Mina Rezaei , Haojin Yang , Christoph Meinel

To overcome these obstacles and improve computational accuracy and efficiency, this paper presents the Randomized Radial Basis Function Neural Network (RRNN), an innovative approach explicitly crafted for solving multiscale elliptic…

Numerical Analysis · Mathematics 2024-07-23 Yuhang Wu , Ziyuan Liu , Wenjun Sun , Xu Qian

Graph Convolutional Networks (GCNs) have received increasing attention in the machine learning community for effectively leveraging both the content features of nodes and the linkage patterns across graphs in various applications. As…

Machine Learning · Computer Science 2021-01-01 Donghan Yu , Ruohong Zhang , Zhengbao Jiang , Yuexin Wu , Yiming Yang

Focal cortical dysplasia (FCD) is a leading cause of drug-resistant focal epilepsy, which can be cured by surgery. These lesions are extremely subtle and often missed even by expert neuroradiologists. "Ground truth" manual lesion masks are…

Image and Video Processing · Electrical Eng. & Systems 2023-06-06 Hannah Spitzer , Mathilde Ripart , Abdulah Fawaz , Logan Z. J. Williams , MELD project , Emma Robinson , Juan Eugenio Iglesias , Sophie Adler , Konrad Wagstyl

The feed-forward architectures of recently proposed deep super-resolution networks learn representations of low-resolution inputs, and the non-linear mapping from those to high-resolution output. However, this approach does not fully…

Computer Vision and Pattern Recognition · Computer Science 2018-03-08 Muhammad Haris , Greg Shakhnarovich , Norimichi Ukita

The interdependence between nodes in graphs is key to improve class predictions on nodes and utilized in approaches like Label Propagation (LP) or in Graph Neural Networks (GNN). Nonetheless, uncertainty estimation for non-independent…

Machine Learning · Statistics 2021-10-28 Maximilian Stadler , Bertrand Charpentier , Simon Geisler , Daniel Zügner , Stephan Günnemann

Locating 3D objects from a single RGB image via Perspective-n-Point (PnP) is a long-standing problem in computer vision. Driven by end-to-end deep learning, recent studies suggest interpreting PnP as a differentiable layer, allowing for…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Hansheng Chen , Wei Tian , Pichao Wang , Fan Wang , Lu Xiong , Hao Li

Most advances in medical lesion detection network are limited to subtle modification on the conventional detection network designed for natural images. However, there exists a vast domain gap between medical images and natural images where…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Chenhan Jiang , Shaoju Wang , Hang Xu , Xiaodan Liang , Nong Xiao

Reliable classification of benign and malignant lesions in breast ultrasound images can provide an effective and relatively low cost method for early diagnosis of breast cancer. The accuracy of the diagnosis is however highly dependent on…

Image and Video Processing · Electrical Eng. & Systems 2021-02-24 Elham Yousef Kalaf , Ata Jodeiri , Seyed Kamaledin Setarehdan , Ng Wei Lin , Kartini Binti Rahman , Nur Aishah Taib , Sarinder Kaur Dhillon

We introduce new Gaussian Process (GP) high-order approximations to linear operations that are frequently used in various numerical methods. Our method employs the kernel-based GP regression modeling, a non-parametric Bayesian approach to…

Computational Physics · Physics 2025-06-09 Christopher DeGrendele , Dongwook Lee

Randomized neural networks (RNN) are a variation of neural networks in which the hidden-layer parameters are fixed to randomly assigned values and the output-layer parameters are obtained by solving a linear system by least squares. This…

Numerical Analysis · Mathematics 2022-06-14 Jingbo Sun , Suchuan Dong , Fei Wang

In this paper we propose novel Deformable Part Networks (DPNs) to learn {\em pose-invariant} representations for 2D object recognition. In contrast to the state-of-the-art pose-aware networks such as CapsNet \cite{sabour2017dynamic} and STN…

Machine Learning · Statistics 2018-05-24 Ziming Zhang , Rongmei Lin , Alan Sullivan