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Research into deep learning models for molecular property prediction has primarily focused on the development of better Graph Neural Network (GNN) architectures. Though new GNN variants continue to improve performance, their modifications…

Quantitative Methods · Quantitative Biology 2021-11-23 Toni Sagayaraj , Carsten Eickhoff

Deep sequencing has enabled the investigation of a wide range of environmental microbial ecosystems, but the high memory requirements for {\em de novo} assembly of short-read shotgun sequencing data from these complex populations are an…

Genomics · Quantitative Biology 2015-06-03 Jason Pell , Arend Hintze , Rosangela Canino-Koning , Adina Howe , James M. Tiedje , C. Titus Brown

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Pre-training Graph Neural Networks (GNN) via self-supervised contrastive learning has recently drawn lots of attention. However, most existing works focus on node-level contrastive learning, which cannot capture global graph structure. The…

Machine Learning · Computer Science 2021-04-19 Shichang Zhang , Ziniu Hu , Arjun Subramonian , Yizhou Sun

The Genomic Foundation Model (GFM) paradigm is expected to facilitate the extraction of generalizable representations from massive genomic data, thereby enabling their application across a spectrum of downstream applications. Despite…

Genomics · Quantitative Biology 2024-06-06 Zicheng Liu , Jiahui Li , Siyuan Li , Zelin Zang , Cheng Tan , Yufei Huang , Yajing Bai , Stan Z. Li

For a genomically unstable cancer, a single tumour biopsy will often contain a mixture of competing tumour clones. These tumour clones frequently differ with respect to their genomic content (copy number of each gene) and structure (order…

Genomics · Quantitative Biology 2015-04-28 Andrew McPherson , Andrew Roth , Gavin Ha , Sohrab P. Shah , Cedric Chauve , S. Cenk Sahinalp

In recent years, numerous graph generative models (GGMs) have been proposed. However, evaluating these models remains a considerable challenge, primarily due to the difficulty in extracting meaningful graph features that accurately…

Machine Learning · Computer Science 2025-03-18 Chengen Wang , Murat Kantarcioglu

DNA sequencing, especially of microbial genomes and metagenomes, has been at the core of recent research advances in large-scale comparative genomics. The data deluge has resulted in exponential growth in genomic datasets over the past…

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Machine Learning · Computer Science 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

Graph convolutional neural networks (GCNN) have been successfully applied to many different graph based learning tasks including node and graph classification, matrix completion, and learning of node embeddings. Despite their impressive…

Machine Learning · Computer Science 2019-10-29 Soumyasundar Pal , Florence Regol , Mark Coates

We propose Generative Probabilistic Image Colorization, a diffusion-based generative process that trains a sequence of probabilistic models to reverse each step of noise corruption. Given a line-drawing image as input, our method suggests…

Computer Vision and Pattern Recognition · Computer Science 2021-09-30 Chie Furusawa , Shinya Kitaoka , Michael Li , Yuri Odagiri

The increasing amount of graph data places requirements on the efficient training of graph neural networks (GNNs). The emerging graph distillation (GD) tackles this challenge by distilling a small synthetic graph to replace the real large…

Machine Learning · Computer Science 2024-05-15 Yang Liu , Deyu Bo , Chuan Shi

We introduce GSimCNN (Graph Similarity Computation via Convolutional Neural Networks) for predicting the similarity score between two graphs. As the core operation of graph similarity search, pairwise graph similarity computation is a…

Machine Learning · Computer Science 2018-11-15 Yunsheng Bai , Hao Ding , Yizhou Sun , Wei Wang

Coherence is an important aspect of text quality, and various approaches have been applied to coherence modeling. However, existing methods solely focus on a single document's coherence patterns, ignoring the underlying correlation between…

Computation and Language · Computer Science 2023-06-13 Wei Liu , Xiyan Fu , Michael Strube

Understanding dynamic systems like disease outbreaks, social influence, and information diffusion requires effective modeling of complex networks. Traditional evaluation methods for static networks often fall short when applied to temporal…

Social and Information Networks · Computer Science 2025-09-26 Alireza Rashnu , Sadegh Aliakbary

De novo genome assembly focuses on finding connections between a vast amount of short sequences in order to reconstruct the original genome. The central problem of genome assembly could be described as finding a Hamiltonian path through a…

Machine Learning · Computer Science 2020-11-11 Lovro Vrček , Petar Veličković , Mile Šikić

This study aims to build a pre-trained Graph Neural Network (GNN) model on molecules without human annotations or prior knowledge. Although various attempts have been proposed to overcome limitations in acquiring labeled molecules, the…

Machine Learning · Computer Science 2024-12-23 Van Thuy Hoang , O-Joun Lee

Training 1-bit deep convolutional neural networks (DCNNs) is one of the most challenging problems in computer vision, because it is much easier to get trapped into local minima than conventional DCNNs. The reason lies in that the binarized…

Computer Vision and Pattern Recognition · Computer Science 2020-02-03 Chunlei Liu , Wenrui Ding , Yuan Hu , Baochang Zhang , Jianzhuang Liu , Guodong Guo

Graph Convolutional Networks (GCNs) are widely used in graph-based applications, such as social networks and recommendation systems. Nevertheless, large-scale graphs or deep aggregation layers in full-batch GCNs consume significant GPU…

Machine Learning · Computer Science 2024-10-15 Shengwei Ji , Yujie Tian , Fei Liu , Xinlu Li , Le Wu

Shaped by natural selection and other evolutionary forces, an organism's evolutionary history is reflected through its genome sequence, content of functional elements and organization. Consequently, organisms connected through phylogeny,…

Genomics · Quantitative Biology 2023-06-16 Serena Lam , Giorgio Gonnella