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Graph Neural Networks (GNNs) are vital for learning from graph-structured data, enabling applications in network analysis, recommendation systems, and speech analytics. Deploying them on edge devices like client PCs and laptops enhances…

Machine Learning · Computer Science 2025-02-14 Arghadip Das , Shamik Kundu , Arnab Raha , Soumendu Ghosh , Deepak Mathaikutty , Vijay Raghunathan

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Machine Learning · Computer Science 2024-10-10 S. Akansha

Pairwise alignment of DNA sequencing data is a ubiquitous task in bioinformatics and typically represents a heavy computational burden. State-of-the-art approaches to speed up this task use hashing to identify short segments (k-mers) that…

Machine Learning · Computer Science 2021-02-16 Govinda M. Kamath , Tavor Z. Baharav , Ilan Shomorony

Time series subsequence anomaly detection is an important task in a large variety of real-world applications ranging from health monitoring to AIOps, and is challenging due to the following reasons: 1) how to effectively learn complex…

Machine Learning · Computer Science 2024-11-27 Weiqi Chen , Zhiqiang Zhou , Qingsong Wen , Liang Sun

Motivation: Predicting the secondary structure of an RNA sequence is useful in many applications. Existing algorithms (based on dynamic programming) suffer from a major limitation: their runtimes scale cubically with the RNA length, and…

Biomolecules · Quantitative Biology 2020-01-14 Liang Huang , He Zhang , Dezhong Deng , Kai Zhao , Kaibo Liu , David A. Hendrix , David H. Mathews

Precise analysis of nanoparticles for characterization in electron microscopy images is essential for advancing nanomaterial development. Yet it remains challenging due to the time-consuming nature of manual methods and the shortcomings of…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Anindya Pal , Varun Ajith , Saumik Bhattacharya , Sayantari Ghosh

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle…

Machine Learning · Computer Science 2022-10-24 Hongjoon Ahn , Yongyi Yang , Quan Gan , Taesup Moon , David Wipf

A key performance bottleneck when training graph neural network (GNN) models on large, real-world graphs is loading node features onto a GPU. Due to limited GPU memory, expensive data movement is necessary to facilitate the storage of these…

Machine Learning · Computer Science 2024-03-26 Kezhao Huang , Haitian Jiang , Minjie Wang , Guangxuan Xiao , David Wipf , Xiang Song , Quan Gan , Zengfeng Huang , Jidong Zhai , Zheng Zhang

Hybrid search, which jointly optimizes vector similarity and structured predicate filtering, has become a fundamental building block for modern AI-driven systems. While recent predicate-aware ANN indices improve filtering efficiency on…

Databases · Computer Science 2026-04-21 Xinkui Zhao , Hengxuan Lou , Yifan Zhang , Junjie Dai , Shuiguang Deng , Jianwei Yin

High-throughput solid-state nanopore experiments generate continuous MHz-rate data streams in which only a small fraction of data contains informative molecular information. This creates storage and processing bottlenecks that limit…

Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…

Machine Learning · Computer Science 2026-01-21 Xudong Wang , Chris Ding , Tongxin Li , Jicong Fan

Graph Edit Distance (GED) is a general and domain-agnostic metric to measure graph similarity, widely used in graph search or retrieving tasks. However, the exact GED computation is known to be NP-complete. For instance, the widely used A*…

Machine Learning · Computer Science 2023-11-07 Junfeng Liu , Min Zhou , Shuai Ma , Lujia Pan

Artificial neural network (NN) architecture design is a nontrivial and time-consuming task that often requires a high level of human expertise. Neural architecture search (NAS) serves to automate the design of NN architectures and has…

Neural and Evolutionary Computing · Computer Science 2024-09-10 Reinhard Booysen , Anna Sergeevna Bosman

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Social and Information Networks · Computer Science 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Real-world graphs or networks are usually heterogeneous, involving multiple types of nodes and relationships. Heterogeneous graph neural networks (HGNNs) can effectively handle these diverse nodes and edges, capturing heterogeneous…

Neural and Evolutionary Computing · Computer Science 2026-01-07 Buqing Cao , Qian Peng , Xiang Xie , Liang Chen , Min Shi , Jianxun Liu

We present ReHub, a novel graph transformer architecture that achieves linear complexity through an efficient reassignment technique between nodes and virtual nodes. Graph transformers have become increasingly important in graph learning…

Machine Learning · Computer Science 2025-08-26 Tomer Borreda , Daniel Freedman , Or Litany

Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with enormous ramifications for both drug discovery and protein engineering. We build upon…

Biomolecules · Quantitative Biology 2023-12-05 Gregory W. Kyro , Rafael I. Brent , Victor S. Batista

This paper tackles the pressing challenge of mutagenicity prediction by introducing three ground-breaking approaches. First, it showcases the superior performance of 2D scattering coefficients extracted from molecular images, compared to…

Machine Learning · Computer Science 2024-11-26 Abdeljalil Zoubir , Badr Missaoui

This paper presents a novel approach to neural network pruning by integrating a graph-based observation space into an AutoML framework to address the limitations of existing methods. Traditional pruning approaches often depend on…

Machine Learning · Computer Science 2025-09-16 Dieter Balemans , Thomas Huybrechts , Jan Steckel , Siegfried Mercelis

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan