{"title":"Graph Representations for Reinforcement Learning","authors":"Esteban Schab, Carla Casanova, Fabiana Piccoli","doi":"10.24215/16666038.24.e03","DOIUrl":null,"url":null,"abstract":"Graph analysis is becoming increasingly important due to the expressive power of graph models and the efficient algorithms available for processing them. Reinforcement Learning is one domain that could benefit from advancements in graph analysis, given that a learning agent may be integrated into an environment that can be represented as a graph. Nevertheless, the structural irregularity of graphs and the lack of prior labels make it difficult to integrate such a model into modern Reinforcement Learning frameworks that rely on artificial neural networks. Graph embedding enables the learning of low-dimensional vector representations that are more suited for machine learning algorithms, while retaining essential graph features. This paper presents a framework for evaluating graph embedding algorithms and their ability to preserve the structure and relevant features of graphs by means of an internal validation metric, without resorting to subsequent tasks that require labels for training. Based on this framework, three defined algorithms that meet the necessary requirements for solving a specific problem of Reinforcement Learning in graphs are selected, analyzed, and compared. These algorithms are Graph2Vec, GL2Vec, and Wavelet Characteristics, with the latter two demonstrating superior performance.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":"87 16","pages":""},"PeriodicalIF":17.7000,"publicationDate":"2024-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"94","ListUrlMain":"https://doi.org/10.24215/16666038.24.e03","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Graph analysis is becoming increasingly important due to the expressive power of graph models and the efficient algorithms available for processing them. Reinforcement Learning is one domain that could benefit from advancements in graph analysis, given that a learning agent may be integrated into an environment that can be represented as a graph. Nevertheless, the structural irregularity of graphs and the lack of prior labels make it difficult to integrate such a model into modern Reinforcement Learning frameworks that rely on artificial neural networks. Graph embedding enables the learning of low-dimensional vector representations that are more suited for machine learning algorithms, while retaining essential graph features. This paper presents a framework for evaluating graph embedding algorithms and their ability to preserve the structure and relevant features of graphs by means of an internal validation metric, without resorting to subsequent tasks that require labels for training. Based on this framework, three defined algorithms that meet the necessary requirements for solving a specific problem of Reinforcement Learning in graphs are selected, analyzed, and compared. These algorithms are Graph2Vec, GL2Vec, and Wavelet Characteristics, with the latter two demonstrating superior performance.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.