Edward O. Pyzer-Knapp - Deep Learning for Physical Scientists

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Edward O. Pyzer‐Knapp

IBM Research UK

Data Centric Cognitive Systems

Daresbury Laboratory

Warrington

UK

Matthew Benatan

IBM Research UK

Data Centric Cognitive Systems

Daresbury Laboratory

Warrington

UK

This edition first published 2022

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Library of Congress Cataloging‐in‐Publication Data

Names: Pyzer-Knapp, Edward O., author. | Benatan, Matthew, author.

Title: Deep learning for physical scientists : accelerating research with machine learning / Edward O. Pyzer-Knapp, IBM Research UK, Data Centric Cognitive Systems, Daresbury Laboratory, Warrington UK, Matthew Benatan, IBM Research UK, Data Centric Cognitive Systems, Daresbury Laboratory, Warrington UK.

Description: Hoboken, NJ : Wiley, 2022. | Includes index.

Identifiers: LCCN 2021036996 (print) | LCCN 2021036997 (ebook) | ISBN 9781119408338 (hardback) | ISBN 9781119408321 (adobe pdf) | ISBN 9781119408352 (epub)

Subjects: LCSH: Physical sciences–Data processing. | Machine learning.

Classification: LCC Q183.9 .P99 2022 (print) | LCC Q183.9 (ebook) | DDC 500.20285/631–dc23

LC record available at https://lccn.loc.gov/2021036996LC ebook record available at https://lccn.loc.gov/2021036997

Cover Design: Wiley

Cover Image: © Anatolyi Deryenko/Alamy Stock Photo

Dr Edward O. Pyzer‐Knappis the worldwide lead for AI Enriched Modelling and Simulation at IBM Research. Previously, he obtained his PhD from the University of Cambridge using state of the art computational techniques to accelerate materials design then moving to Harvard where he was in charge of the day‐to‐day running of the Harvard Clean Energy Project ‐ a collaboration with IBM which combined massive distributed computing, quantum‐mechanical simulations, and machine‐learning to accelerate discovery of the next generation of organic photovoltaic materials. He is also the Visiting Professor of Industrially Applied AI at the University of Liverpool, and the Editor in Chief for Applied AI Letters, a journal with a focus on real‐world application and validation of AI.

Dr Matt Benatanreceived his PhD in Audio‐Visual Speech Processing from the University of Leeds, after which he went on to pursue a career in AI research within industry. His work to date has involved the research and development of AI techniques for a broad variety of domains, from applications in audio processing through to materials discovery. His research interests include Computer Vision, Signal Processing, Bayesian Optimization, and Scalable Bayesian Inference.

EPK: This book would not have been possible without the support of my wonderful wife, Imogen.

MB: Thanks to my wife Rebecca and parents Dan & Debby for their continuing support.

Paradigm shifts in the way we do science occur when the stars align. For this to occur we must have three key ingredients: