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Discovering the underlying structures present in large real world graphs is a fundamental scientific problem. In this paper we show that a graph's clique tree can be used to extract a hyperedge replacement grammar. If we store an ordering…

Social and Information Networks · Computer Science 2016-08-11 Salvador Aguiñaga , Rodrigo Palacios , David Chiang , Tim Weninger

Understanding genetic variation, e.g., through mutations, in organisms is crucial to unravel their effects on the environment and human health. A fundamental characterization can be obtained by solving the haplotype assembly problem, which…

Genomics · Quantitative Biology 2022-10-25 Hansheng Xue , Vaibhav Rajan , Yu Lin

We present kleuren, a novel assembly-free method to reconstruct phylogenetic trees using the Colored de Bruijn Graph. kleuren works by constructing the Colored de Bruijn Graph and then traversing it, finding bubble structures in the graph…

Populations and Evolution · Quantitative Biology 2018-04-24 Cole A. Lyman , M. Stanley Fujimoto , Anton Suvorov , Paul M. Bodily , Quinn Snell , Keith A. Crandall , Seth M. Bybee , Mark J. Clement

A graph $G=(V,E)$ is word-representable if there exists a word $w$ over the alphabet $V$ such that letters $x$ and $y$ alternate in $w$ if and only if $xy\in E$. Word-representable graphs generalize several important classes of graphs such…

Combinatorics · Mathematics 2023-07-13 Anthony V. Petyuk

The complicated syntax structure of natural language is hard to be explicitly modeled by sequence-based models. Graph is a natural structure to describe the complicated relation between tokens. The recent advance in Graph Neural Networks…

Computation and Language · Computer Science 2019-09-19 Wei Li , Shuheng Li , Shuming Ma , Yancheng He , Deli Chen , Xu Sun

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

Machine Learning · Computer Science 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

Representation learning on graphs has been gaining attention due to its wide applicability in predicting missing links, and classifying and recommending nodes. Most embedding methods aim to preserve certain properties of the original graph…

Social and Information Networks · Computer Science 2019-09-13 Palash Goyal , Di Huang , Sujit Rokka Chhetri , Arquimedes Canedo , Jaya Shree , Evan Patterson

Recent work identified the fundamental limits on the information requirements in terms of read length and coverage depth required for successful de novo genome reconstruction from shotgun sequencing data, based on the idealistic assumption…

Genomics · Quantitative Biology 2014-02-28 Ka-Kit Lam , Asif Khalak , David Tse

We propose Embedding Propagation (EP), an unsupervised learning framework for graph-structured data. EP learns vector representations of graphs by passing two types of messages between neighboring nodes. Forward messages consist of label…

Machine Learning · Computer Science 2017-10-10 Alberto Garcia-Duran , Mathias Niepert

This paper studies learning the representations of whole graphs in both unsupervised and semi-supervised scenarios. Graph-level representations are critical in a variety of real-world applications such as predicting the properties of…

Machine Learning · Computer Science 2020-01-20 Fan-Yun Sun , Jordan Hoffmann , Vikas Verma , Jian Tang

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

In this study, we focus on the graph representation learning (a.k.a. network embedding) in attributed graphs. Different from existing embedding methods that treat the incorporation of graph structure and semantic as the simple combination…

Social and Information Networks · Computer Science 2023-05-12 Meng Qin

The representation of graphs is commonly based on the adjacency matrix concept. This formulation is the foundation of most algebraic and computational approaches to graph processing. The advent of deep learning language models offers a wide…

Artificial Intelligence · Computer Science 2025-12-16 Ezequiel Lopez-Rubio

Predicating macroscopic influences of drugs on human body, like efficacy and toxicity, is a central problem of small-molecule based drug discovery. Molecules can be represented as an undirected graph, and we can utilize graph convolution…

Machine Learning · Computer Science 2017-09-19 Junying Li , Deng Cai , Xiaofei He

Genome analysis fundamentally starts with a process known as read mapping, where sequenced fragments of an organism's genome are compared against a reference genome. Read mapping is currently a major bottleneck in the entire genome analysis…

Hardware Architecture · Computer Science 2020-10-29 Mohammed Alser , Zülal Bingöl , Damla Senol Cali , Jeremie Kim , Saugata Ghose , Can Alkan , Onur Mutlu

The recent advances in sequencing technologies enables the assembly of individual genomes to the reference quality. How to integrate multiple genomes from the same species and to make the integrated representation accessible to biologists…

Genomics · Quantitative Biology 2020-03-16 Heng Li , Xiaowen Feng , Chong Chu

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

Self-supervised graph representation learning (SSGRL) is a representation learning paradigm used to reduce or avoid manual labeling. An essential part of SSGRL is graph data augmentation. Existing methods usually rely on heuristics commonly…

Machine Learning · Computer Science 2024-12-25 Ahmed E. Samy , Zekarias T. Kefatoa , Sarunas Girdzijauskasa

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola
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