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Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

Machine Learning · Computer Science 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

In this paper, from a theoretical perspective, we study how powerful graph neural networks (GNNs) can be for learning approximation algorithms for combinatorial problems. To this end, we first establish a new class of GNNs that can solve a…

Machine Learning · Computer Science 2019-11-11 Ryoma Sato , Makoto Yamada , Hisashi Kashima

In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected.…

Machine Learning · Computer Science 2021-12-16 Aneesh Komanduri , Justin Zhan

The de Bruijn graph, its sequences, and their various generalizations, have found many applications in information theory, including many new ones in the last decade. In this paper, motivated by a coding problem for emerging memory…

Information Theory · Computer Science 2020-05-08 Yeow Meng Chee , Tuvi Etzion , Han Mao Kiah , Alexander Vardy , Van Khu Vu , Eitan yaakobi

Based on the framework of the quantum-inspired evolutionary algorithm, a cuckoo quantum evolutionary algorithm (CQEA) is proposed for solving the graph coloring problem (GCP). To reduce iterations for the search of the chromatic number, the…

Neural and Evolutionary Computing · Computer Science 2021-08-20 Yongjian Xu , Yu Chen

In this paper, we first propose a Bayesian neighborhood selection method to estimate Gaussian Graphical Models (GGMs). We show the graph selection consistency of this method in the sense that the posterior probability of the true model…

Applications · Statistics 2015-07-08 Zhixiang Lin , Tao Wang , Can Yang , Hongyu Zhao

De novo genome assembly, i.e., rebuilding the sequence of an unknown genome from redundant and erroneous short sequences, is a key but computationally intensive step in many genomics pipelines. The exponential growth of genomic data is…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-07-12 Giulia Guidi , Gabriel Raulet , Daniel Rokhsar , Leonid Oliker , Katherine Yelick , Aydin Buluc

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

In recent years, the sequencing, assembling and annotation of prokaryotic genomes has become increasingly easy and cheap. Thus it becomes increasingly feasible and interesting to perform comparative genomics analyses of new genomes to those…

Genomics · Quantitative Biology 2023-05-08 Giorgio Gonnella

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

Structural information about protein-protein interactions, often missing at the interactome scale, is important for mechanistic understanding of cells and rational discovery of therapeutics. Protein docking provides a computational…

Biomolecules · Quantitative Biology 2020-12-17 Yue Cao , Yang Shen

With small-scale quantum processors transitioning from experimental physics labs to industrial products, these processors allow us to efficiently compute important algorithms in various fields. In this paper, we propose a quantum algorithm…

Quantum Physics · Physics 2020-05-22 Aritra Sarkar , Zaid Al-Ars , Carmen G. Almudever , Koen Bertels

A number of bioinformatic or biostatistical methods are available for analyzing DNA copy number profiles measured from microarray or sequencing technologies. In the absence of rich enough gold standard data sets, the performance of these…

Quantitative Methods · Quantitative Biology 2015-11-06 Morgane Pierre-Jean , Guillem Rigaill , Pierre Neuvial

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Microbes have a profound impact on our health and environment, but our understanding of the diversity and function of microbial communities is severely limited. Through DNA sequencing of microbial communities (metagenomics), DNA fragments…

Genomics · Quantitative Biology 2022-04-27 Andre Lamurias , Alessandro Tibo , Katja Hose , Mads Albertsen , Thomas Dyhre Nielsen

In genome-wide prediction, independence of marker allele substitution effects is typically assumed; however, since early stages of this technology it has been known that nature points to correlated effects. In statistics, graphical models…

Quantitative Methods · Quantitative Biology 2017-09-21 Carlos Alberto Martínez , Kshitij Khare , Syed Rahman , Mauricio A. Elzo

Mapper, a topological algorithm, is frequently used as an exploratory tool to build a graphical representation of data. This representation can help to gain a better understanding of the intrinsic shape of high-dimensional genomic data and…

Genomics · Quantitative Biology 2023-07-19 Erik J. Amézquita , Farzana Nasrin , Kathleen M. Storey , Masato Yoshizawa

Although graph neural networks (GNNs) have achieved impressive achievements in graph classification, they often need abundant task-specific labels, which could be extensively costly to acquire. A credible solution is to explore additional…

Machine Learning · Computer Science 2025-07-15 Nan Yin , Li Shen , Mengzhu Wang , Long Lan , Zeyu Ma , Chong Chen , Xian-Sheng Hua , Xiao Luo

Deep learning is widely used to uncover hidden patterns in large code corpora. To achieve this, constructing a format that captures the relevant characteristics and features of source code is essential. Graph-based representations have…

Software Engineering · Computer Science 2024-02-01 Mootez Saad , Tushar Sharma

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

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