Data analytics has become an integral part of materials science. This book provides the practical tools and fundamentals needed for researchers in materials science to understand how to analyze large datasets using statistical methods, especially inverse methods applied to microstructure characterization. It contains valuable guidance on essential topics such as denoising and data modeling. Additionally, the analysis and applications section addresses compressed sensing methods, stochastic models, extreme estimation, and approaches to pattern detection.

Materials informatics: a hot topic area in materials science, aims to combine traditionally bio-led informatics with computational methodologies, supporting more efficient research by identifying strategies for time- and cost-effective analysis. The discovery and maturation of new materials has been outpaced by the thicket of data created by new combinatorial and high throughput analytical techniques. The elaboration of this "quantitative avalanche" and the resulting complex, multi-factor analyses required to understand it means that interest, investment, and research are revisiting informatics approaches as a solution. This work, from Krishna Rajan, the leading expert of the informatics approach to materials, seeks to break down the barriers between data management, quality standards, data mining, exchange, and storage and analysis, as a means of accelerating scientific research in materials science. This solutions-based reference synthesizes foundational physical, statistical, and mathematical content with emerging experimental and real-world applications, for interdisciplinary researchers and those new to the field. Identifies and analyzes interdisciplinary strategies (including combinatorial and high throughput approaches) that accelerate materials development cycle times and reduces associated costs Mathematical and computational analysis aids formulation of new structure-property correlations among large, heterogeneous, and distributed data sets Practical examples, computational tools, and software analysis benefits rapid identification of critical data and analysis of theoretical needs for future problems "

A textbook covering data-science and machine learning methods for modelling and control in engineering and science, with Python and MATLAB®.

Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.

Learn how to use R to turn raw data into insight, knowledge, and understanding. This book introduces you to R, RStudio, and the tidyverse, a collection of R packages designed to work together to make data science fast, fluent, and fun. Suitable for readers with no previous programming experience, R for Data Science is designed to get you doing data science as quickly as possible. Authors Hadley Wickham and Garrett Grolemund guide you through the steps of importing, wrangling, exploring, and modeling your data and communicating the results. You'll get a complete, big-picture understanding of the data science cycle, along with basic tools you need to manage the details. Each section of the book is paired with exercises to help you practice what you've learned along the way. You'll learn how to: Wrangle—transform your datasets into a form convenient for analysis Program—learn powerful R tools for solving data problems with greater clarity and ease Explore—examine your data, generate hypotheses, and quickly test them Model—provide a low-dimensional summary that captures true "signals" in your dataset Communicate—learn R Markdown for integrating prose, code, and results

Elementary Materials Science covers the subject of materials science with few equations; it is intended primarily for students with limited science backgrounds who are interested in materials. The book also will be useful for non-technical professionals in the materials industry.

The second edition of this well-received handbook is the most concise yet comprehensive compilation of materials data. The chapters provide succinct descriptions and summarize essential and reliable data for various types of materials. The information is amply illustrated with 900 tables and 1050 figures selected primarily from well-established data collections, such as Landolt-Börnstein, which is now part of the SpringerMaterials database. The new edition of the Springer Handbook of Materials Data starts by presenting the latest CODATA recommended values of the fundamental physical constants and provides comprehensive tables of the physical and physicochemical properties of the elements. 25 chapters collect and summarize the most frequently used data and relationships for numerous metals, nonmetallic materials, functional materials and selected special structures such as liquid crystals and nanostructured materials. Along with careful updates to the content and the inclusion of timely and extensive references, this second edition includes new chapters on polymers, materials for solid catalysts and low-dimensional semiconductors. This handbook is an authoritative reference resource for engineers, scientists and students engaged in the vast field of materials science.

Custom design, manufacture, and deployment of new high performance materials for advanced technologies is critically dependent on the availability of invertible, high fidelity, structure-property-processing (SPP) linkages. Establishing these linkages presents a major challenge because of the need to cover unimaginably large dimensional spaces. Hierarchical Materials Informatics addresses objective, computationally efficient, mining of large ensembles of experimental and modeling datasets to extract this core materials knowledge. Furthermore, it aims to organize and present this high value knowledge in highly accessible forms to end users engaged in product design and design for manufacturing efforts. As such, this emerging field has a pivotal role in realizing the goals outlined in current strategic national initiatives such as the Materials Genome Initiative (MGI) and the Advanced Manufacturing Partnership (AMP). This book presents the foundational elements of this new discipline as it relates to the design, development, and deployment of hierarchical materials critical to advanced technologies. - Addresses a critical gap in new materials research and development by presenting a rigorous statistical framework for the quantification of microstructure - Contains several case studies illustrating the use of modern data analytic tools on microstructure datasets (both experimental and modeling)

Putting predictive models into production is one of the most direct ways that data scientists can add value to an organization. By learning how to build and deploy scalable model pipelines, data scientists can own more of the model production process and more rapidly deliver data products. This book provides a hands-on approach to scaling up Python code to work in distributed environments in order to build robust pipelines. Readers will learn how to set up machine learning models as web endpoints, serverless functions, and streaming pipelines using multiple cloud environments. It is intended for analytics practitioners with hands-on experience with Python libraries such as Pandas and scikit-learn, and will focus on scaling up prototype models to production. From startups to trillion dollar companies, data science is playing an important role in helping organizations maximize the value of their data. This book helps data scientists to level up their careers by taking ownership of data products with applied examples that demonstrate how to: Translate models developed on a laptop to scalable deployments in the cloud Develop end-to-end systems that automate data science workflows Own a data product from conception to production The accompanying Jupyter notebooks provide examples of scalable pipelines across multiple cloud environments, tools, and libraries (github.com/bgweber/DS_Production). Book Contents Here are the topics covered by Data Science in Production: Chapter 1: Introduction - This chapter will motivate the use of Python and discuss the discipline of applied data science, present the data sets, models, and cloud environments used throughout the book, and provide an overview of automated feature engineering. Chapter 2: Models as Web Endpoints - This chapter shows how to use web endpoints for consuming data and hosting machine learning models as endpoints using the Flask and Gunicorn libraries. We'll start with scikit-learn models and also set up a deep learning endpoint with Keras. Chapter 3: Models as Serverless Functions - This chapter will build upon the previous chapter and show how to set up model endpoints as serverless functions using AWS Lambda and GCP Cloud Functions. Chapter 4: Containers for Reproducible Models - This chapter will show how to use containers for deploying models with Docker. We'll also explore scaling up with ECS and Kubernetes, and building web applications with Plotly Dash. Chapter 5: Workflow Tools for Model Pipelines - This chapter focuses on scheduling automated workflows using Apache Airflow. We'll set up a model that pulls data from BigQuery, applies a model, and saves the results. Chapter 6: PySpark for Batch Modeling - This chapter will introduce readers to PySpark using the community edition of Databricks. We'll build a batch model pipeline that pulls data from a data lake, generates features, applies a model, and stores the results to a No SQL database. Chapter 7: Cloud Dataflow for Batch Modeling - This chapter will introduce the core components of Cloud Dataflow and implement a batch model pipeline for reading data from BigQuery, applying an ML model, and saving the results to Cloud Datastore. Chapter 8: Streaming Model Workflows - This chapter will introduce readers to Kafka and PubSub for streaming messages in a cloud environment. After working through this material, readers will learn how to use these message brokers to create streaming model pipelines with PySpark and Dataflow that provide near real-time predictions. Excerpts of these chapters are available on Medium (@bgweber), and a book sample is available on Leanpub.