English
Related papers

Related papers: Scalar Coupling Constant Prediction Using Graph Em…

200 papers

We propose the Signal Dice Similarity Coefficient (SDSC), a structure-aware metric function for time series self-supervised representation learning. Most Self-Supervised Learning (SSL) methods for signals commonly adopt distance-based…

Machine Learning · Computer Science 2026-01-30 Jeyoung Lee , Hochul Kang

We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…

Numerical Analysis · Mathematics 2025-09-24 Xuelong Gu , Qi Wang

The pixel-wise dense prediction tasks based on weakly supervisions currently use Class Attention Maps (CAM) to generate pseudo masks as ground-truth. However, the existing methods typically depend on the painstaking training modules, which…

Computer Vision and Pattern Recognition · Computer Science 2021-11-08 Yanpeng Sun , Zechao Li

High-fidelity compression of multispectral solar imagery remains challenging for space missions, where limited bandwidth must be balanced against preserving fine spectral and spatial details. We present a learned image compression framework…

Computer Vision and Pattern Recognition · Computer Science 2026-01-01 Prasiddha Siwakoti , Atefeh Khoshkhahtinat , Piyush M. Mehta , Barbara J. Thompson , Michael S. F. Kirk , Daniel da Silva

Effective node representation lies at the heart of Graph Neural Networks (GNNs), as it directly impacts their ability to perform downstream tasks such as node classification and link prediction. Most existing GNNs, particularly message…

Machine Learning · Computer Science 2025-11-26 Md Joshem Uddin , Astrit Tola , Varin Sikand , Cuneyt Gurcan Akcora , Baris Coskunuzer

Training effective embodied AI agents often involves manual reward engineering, expert imitation, specialized components such as maps, or leveraging additional sensors for depth and localization. Another approach is to use neural…

Computer Vision and Pattern Recognition · Computer Science 2022-12-05 Kunal Pratap Singh , Jordi Salvador , Luca Weihs , Aniruddha Kembhavi

Generative graph self-supervised learning (SSL) aims to learn node representations by reconstructing the input graph data. However, most existing methods focus on unsupervised learning tasks only and very few work has shown its superiority…

Machine Learning · Computer Science 2023-02-08 Xiang Li , Tiandi Ye , Caihua Shan , Dongsheng Li , Ming Gao

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

Recent years have seen a growing interest in Scene Graph Generation (SGG), a comprehensive visual scene understanding task that aims to predict entity relationships using a relation encoder-decoder pipeline stacked on top of an object…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Gopika Sudhakaran , Devendra Singh Dhami , Kristian Kersting , Stefan Roth

This study explores the application of Convolutional Autoencoders (CAEs) for analyzing and reconstructing Scanning Tunneling Microscopy (STM) images of various crystalline lattice structures. We developed two distinct CAE architectures to…

Numerical Analysis · Mathematics 2025-01-24 Peter Binev , Joshua Moorehead , Ayush Parambath , Luke Parrella , Rori Pumphrey , Miruna Savu

Graph link prediction has long been a central problem in graph representation learning in both network analysis and generative modeling. Recent progress in deep learning has introduced increasingly sophisticated architectures for capturing…

Machine Learning · Computer Science 2025-12-02 Siddhant Karki

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are…

Machine Learning · Computer Science 2024-05-07 Benjie Wang , Joel Jennings , Wenbo Gong

Link prediction is a pivotal task in graph mining with wide-ranging applications in social networks, recommendation systems, and knowledge graph completion. However, many leading Graph Neural Network (GNN) models often neglect the valuable…

Social and Information Networks · Computer Science 2025-11-11 Ankit Mazumder , Srikanta Bedathur

Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

Machine Learning · Computer Science 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li

Structure encoding has proven to be the key feature to distinguishing links in a graph. However, Structure encoding in the temporal graph keeps changing as the graph evolves, repeatedly computing such features can be time-consuming due to…

Machine Learning · Computer Science 2024-07-31 Ke Cheng , Linzhi Peng , Junchen Ye , Leilei Sun , Bowen Du

Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, rendering them essential tools for empowering modern GNNs, and in particular graph Transformers. However, designing PSEs that work optimally…

This paper proposes a topology-aware graph reinforcement learning approach to address the routing policy optimization problem in cloud server environments. The method builds a unified framework for state representation and structural…

Machine Learning · Computer Science 2025-09-08 Yuxi Wang , Heyao Liu , Guanzi Yao , Nyutian Long , Yue Kang

Stack autoencoder (SAE), as a representative deep network, has unique and excellent performance in feature learning, and has received extensive attention from researchers. However, existing deep SAEs focus on original samples without…

Machine Learning · Computer Science 2022-10-28 Chuanyan Zhou , Jie Ma , Fan Li , Yongming Li , Pin Wang , Xiaoheng Zhang

Reliable fault detection is an essential requirement for safe and efficient operation of complex mechanical systems in various industrial applications. Despite the abundance of existing approaches and the maturity of the fault detection…

Signal Processing · Electrical Eng. & Systems 2024-08-19 Tianfu Li , Chuang Sun , Ruqiang Yan , Xuefeng Chen

Graph Neural Networks (GNNs) have shown remarkable merit in performing various learning-based tasks in complex networks. The superior performance of GNNs often correlates with the availability and quality of node-level features in the input…

Social and Information Networks · Computer Science 2023-10-20 Anwar Said , Mudassir Shabbir , Tyler Derr , Waseem Abbas , Xenofon Koutsoukos