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Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural networks applied to computed molecular…

Deep learning (DL) models have achieved strong performance in an intelligence healthcare setting, yet most existing approaches operate as black boxes and ignore the physical processes that govern tumor growth, limiting interpretability,…

Machine Learning · Computer Science 2026-03-31 Pulock Das , Al Amin , Kamrul Hasan , Rohan Thompson , Azubike D. Okpalaeze , Liang Hong

Gravitational wave science is a pioneering field with rapidly evolving data analysis methodology currently assimilating and inventing deep learning techniques. The bulk of the sophisticated flagship searches of the field rely on the…

Instrumentation and Methods for Astrophysics · Physics 2022-02-23 Jingkai Yan , Mariam Avagyan , Robert E. Colgan , Doğa Veske , Imre Bartos , John Wright , Zsuzsa Márka , Szabolcs Márka

We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dynamics. While the U-Net architecture with skip connections…

Machine Learning · Computer Science 2024-03-29 Xuan Zhang , Jacob Helwig , Yuchao Lin , Yaochen Xie , Cong Fu , Stephan Wojtowytsch , Shuiwang Ji

We investigate the performance of fully convolutional networks to simulate the motion and interaction of surface waves in open and closed complex geometries. We focus on a U-Net architecture and analyse how well it generalises to geometric…

Machine Learning · Computer Science 2020-12-02 Mario Lino , Chris Cantwell , Stathi Fotiadis , Eduardo Pignatelli , Anil Bharath

This work investigates use of equivariant neural networks as efficient and high-performance frameworks for image reconstruction and denoising in nuclear medicine. Our work aims to tackle limitations of conventional Convolutional Neural…

Image and Video Processing · Electrical Eng. & Systems 2025-02-03 Amirreza Hashemi , Yuemeng Feng , Arman Rahmim , Hamid Sabet

Although supervised deep representation learning has attracted enormous attentions across areas of pattern recognition and computer vision, little progress has been made towards unsupervised deep representation learning for image…

Computer Vision and Pattern Recognition · Computer Science 2020-09-16 Jinghua Wang , Jianmin Jiang

Recent studies shows that the majority of existing deep steganalysis models have a large amount of redundancy, which leads to a huge waste of storage and computing resources. The existing model compression method cannot flexibly compress…

Computer Vision and Pattern Recognition · Computer Science 2022-06-14 Shunquan Tan , Qiushi Li , Laiyuan Li , Bin Li , Jiwu Huang

In this paper we explore tying together the ideas from Scattering Transforms and Convolutional Neural Networks (CNN) for Image Analysis by proposing a learnable ScatterNet. Previous attempts at tying them together in hybrid networks have…

Computer Vision and Pattern Recognition · Computer Science 2019-03-11 Fergal Cotter , Nick Kingsbury

In deep learning, dense layer connectivity has become a key design principle in deep neural networks (DNNs), enabling efficient information flow and strong performance across a range of applications. In this work, we model densely connected…

Machine Learning · Computer Science 2025-10-03 Jinshu Huang , Haibin Su , Xue-Cheng Tai , Chunlin Wu

Molecular representation learning methods typically tokenize molecules as individual atoms or use rigid, rule-based fragment decompositions, limiting their ability to capture meaningful chemical substructure context. We introduce…

Machine Learning · Computer Science 2026-05-26 Ankur Samanta , Rohan Gupta , Aditi Misra , Christian McIntosh Clarke , Jayakumar Rajadas

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio

Deep Convolutional Neural Network (CNN) is a special type of Neural Networks, which has shown exemplary performance on several competitions related to Computer Vision and Image Processing. Some of the exciting application areas of CNN…

Computer Vision and Pattern Recognition · Computer Science 2020-05-12 Asifullah Khan , Anabia Sohail , Umme Zahoora , Aqsa Saeed Qureshi

Currently, increasingly deeper neural networks have been applied to improve their accuracy. In contrast, We propose a novel wider Convolutional Neural Networks (CNN) architecture, motivated by the Multi-column Deep Neural Networks and the…

Computer Vision and Pattern Recognition · Computer Science 2018-10-10 Xiaobo Huang

Convolutional neural networks (CNNs) have been extensively applied for image recognition problems giving state-of-the-art results on recognition, detection, segmentation and retrieval. In this work we propose and evaluate several deep…

Computer Vision and Pattern Recognition · Computer Science 2015-04-14 Joe Yue-Hei Ng , Matthew Hausknecht , Sudheendra Vijayanarasimhan , Oriol Vinyals , Rajat Monga , George Toderici

This work attempts to interpret modern deep (convolutional) networks from the principles of rate reduction and (shift) invariant classification. We show that the basic iterative gradient ascent scheme for optimizing the rate reduction of…

Machine Learning · Computer Science 2020-10-30 Kwan Ho Ryan Chan , Yaodong Yu , Chong You , Haozhi Qi , John Wright , Yi Ma

State-of-the-art deep learning systems often require large amounts of data and computation. For this reason, leveraging known or unknown structure of the data is paramount. Convolutional neural networks (CNNs) are successful examples of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-07 Carlos Esteves

Convolutional Neural Networks (CNN) increase depth by stacking convolutional layers, and deeper network models perform better in image recognition. Empirical research shows that simply stacking convolutional layers does not make the network…

Computer Vision and Pattern Recognition · Computer Science 2022-11-16 Rui-Yang Ju , Jen-Shiun Chiang , Chih-Chia Chen , Yu-Shian Lin

In this study, we have explored an application of deep learning architecture of the U-Net model, originally designed for biomedical image segmentation, in a regression analysis aimed at predicting fluid flows through textured microchannels.…

Computational Engineering, Finance, and Science · Computer Science 2026-04-06 Ganesh Sahadeo Meshram , Partha Pratim Chakrabarti , Suman Chakraborty

We propose a novel neural network architecture, SwitchNet, for solving the wave equation based inverse scattering problems via providing maps between the scatterers and the scattered field (and vice versa). The main difficulty of using a…

Numerical Analysis · Mathematics 2018-10-29 Yuehaw Khoo , Lexing Ying
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