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Pre-training models on Imagenet or other massive datasets of real images has led to major advances in computer vision, albeit accompanied with shortcomings related to curation cost, privacy, usage rights, and ethical issues. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2022-03-30 Samarth Mishra , Rameswar Panda , Cheng Perng Phoo , Chun-Fu Chen , Leonid Karlinsky , Kate Saenko , Venkatesh Saligrama , Rogerio S. Feris

Ensemble forecasts from numerical weather prediction models show systematic errors that require correction via post-processing. While there has been substantial progress in flexible neural network-based post-processing methods over the past…

Machine Learning · Computer Science 2024-07-17 Moritz Feik , Sebastian Lerch , Jan Stühmer

Geometric deep learning is an emerging technique in Artificial Intelligence (AI) driven cheminformatics, however the unique implications of different Graph Neural Network (GNN) architectures are poorly explored, for this space. This study…

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…

Machine Learning · Computer Science 2026-02-13 Mohit Meena , Yash Punjabi , Abhishek A , Vishal Sharma , Mahesh Chandran

Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…

Machine Learning · Computer Science 2025-11-10 Abigail Lin

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or…

Machine Learning · Computer Science 2025-04-01 Jianqing Liang , Min Chen , Jiye Liang

In recent years, powered by the learned discriminative representation via graph neural network (GNN) models, deep graph matching methods have made great progresses in the task of matching semantic features. However, these methods usually…

Computer Vision and Pattern Recognition · Computer Science 2021-11-18 He Liu , Tao Wang , Yidong Li , Congyan Lang , Yi Jin , Haibin Ling

Understanding and predicting pedestrian crossing behavioral intention is crucial for the driving safety of autonomous vehicles. Nonetheless, challenges emerge when using promising images or environmental context masks to extract various…

Computer Vision and Pattern Recognition · Computer Science 2025-05-13 Chen Xie , Ciyun Lin , Xiaoyu Zheng , Bowen Gong , Antonio M. López

Vision Graph Neural Networks (ViGs) offer a new direction for advancements in vision architectures. While powerful, ViGs often face substantial computational challenges stemming from their graph construction phase, which can hinder their…

Computer Vision and Pattern Recognition · Computer Science 2025-11-14 Mustafa Munir , Md Mostafijur Rahman , Radu Marculescu

Recent years have seen substantial progress in neural generation of text, images, and audio, supported by mature training pipelines and large-scale optimization. For graphs, however, comparable progress has been more limited. We attribute…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 André Eberhard , Gerhard Neumann , Pascal Friederich

Target selection is crucial in pharmaceutical drug discovery, directly influencing clinical trial success. Despite its importance, drug development remains resource-intensive, often taking over a decade with significant financial costs.…

Quantitative Methods · Quantitative Biology 2024-09-26 David Narganes-Carlon , Anniek Myatt , Mani Mudaliar , Daniel J. Crowther

This study delves into the application of graph neural networks in the realm of traffic forecasting, a crucial facet of intelligent transportation systems. Accurate traffic predictions are vital for functions like trip planning, traffic…

Machine Learning · Computer Science 2023-10-30 Razib Hayat Khan , Jonayet Miah , S M Yasir Arafat , M M Mahbubul Syeed , Duc M Ca

Single-cell spatial transcriptomics (ST) offers a unique approach to measuring gene expression profiles and spatial cell locations simultaneously. However, most existing ST methods assume that cells in closer spatial proximity exhibit more…

Genomics · Quantitative Biology 2025-06-10 Xiongtao Xiao , Xiaofeng Chen , Feiyan Jiang , Songming Zhang , Wenming Cao , Cheng Tan , Zhangyang Gao , Zhongshan Li

Pre-routing timing prediction has been recently studied for evaluating the quality of a candidate cell placement in chip design. It involves directly estimating the timing metrics for both pin-level (slack, slew) and edge-level (net delay,…

Machine Learning · Computer Science 2024-03-13 Ruizhe Zhong , Junjie Ye , Zhentao Tang , Shixiong Kai , Mingxuan Yuan , Jianye Hao , Junchi Yan

Despite the stride made by machine learning (ML) based performance modeling, two major concerns that may impede production-ready ML applications in EDA are stringent accuracy requirements and generalization capability. To this end, we…

Machine Learning · Computer Science 2022-10-21 Nan Wu , Jiwon Lee , Yuan Xie , Cong Hao

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

Production software oftentimes suffers from the issue of performance inefficiencies caused by inappropriate use of data structures, programming abstractions, and conservative compiler optimizations. It is desirable to avoid unnecessary…

Machine Learning · Computer Science 2020-11-20 Yixin Guo , Pengcheng Li , Yingwei Luo , Xiaolin Wang , Zhenlin Wang

Graph network-based simulators (GNS) have demonstrated strong potential for learning particle-based physics (such as fluids, deformable solids, and granular flows) while generalizing to unseen geometries due to their inherent inductive…

Machine Learning · Computer Science 2026-04-27 Naveen Raj Manoharan , Hassan Iqbal , Krishna Kumar

Node-link diagrams are widely used to facilitate network explorations. However, when using a graph drawing technique to visualize networks, users often need to tune different algorithm-specific parameters iteratively by comparing the…

Human-Computer Interaction · Computer Science 2019-10-10 Yong Wang , Zhihua Jin , Qianwen Wang , Weiwei Cui , Tengfei Ma , Huamin Qu

Finite element analysis (FEA) forms the cornerstone of modeling cardiac biomechanics but is computationally expensive, limiting its clinical application for digital twin creation, which often requires tens to hundreds of simulations to…

Medical Physics · Physics 2025-04-29 Lei Shi , Yurui Chen , Vijay Vedula
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