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Title: Opportunities and Challenges for Machine Learning in Materials Science
Advances in machine learning have impacted myriad areas of materials science, such as the discovery of novel materials and the improvement of molecular simulations, with likely many more important developments to come. Given the rapid changes in this field, it is challenging to understand both the breadth of opportunities and the best practices for their use. In this review, we address aspects of both problems by providing an overview of the areas in which machine learning has recently had significant impact in materials science, and then we provide a more detailed discussion on determining the accuracy and domain of applicability of some common types of machine learning models. Finally, we discuss some opportunities and challenges for the materials community to fully utilize the capabilities of machine learning.  more » « less
Award ID(s):
1720415
NSF-PAR ID:
10176420
Author(s) / Creator(s):
;
Date Published:
Journal Name:
Annual Review of Materials Research
Volume:
50
Issue:
1
ISSN:
1531-7331
Page Range / eLocation ID:
71 to 103
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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Two major concerns that were raised when v1.5.2 of TUSZ was released for the Neureka 2020 Epilepsy Challenge were: (1) the subjects contained in the training, development (validation) and blind evaluation sets were not mutually exclusive, and (2) high frequency seizures were not accurately annotated in all files. Regarding (1), there were 50 subjects in dev, 50 subjects in eval, and 592 subjects in train. There was one subject common to dev and eval, five subjects common to dev and train, and 13 subjects common between eval and train. Though this does not substantially influence performance for the current generation of technology, it could be a problem down the line as technology improves. Therefore, we have rebuilt the partitions of the data so that this overlap was removed. This required augmenting the evaluation and development data sets with new subjects that had not been previously annotated so that the size of these subsets remained approximately the same. 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Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the official views of any of these organizations. REFERENCES [1] I. Obeid and J. Picone, “The Temple University Hospital EEG Data Corpus,” in Augmentation of Brain Function: Facts, Fiction and Controversy. Volume I: Brain-Machine Interfaces, 1st ed., vol. 10, M. A. Lebedev, Ed. Lausanne, Switzerland: Frontiers Media S.A., 2016, pp. 394 398. https://doi.org/10.3389/fnins.2016.00196. [2] V. Shah et al., “The Temple University Hospital Seizure Detection Corpus,” Frontiers in Neuroinformatics, vol. 12, pp. 1–6, 2018. https://doi.org/10.3389/fninf.2018.00083. [3] A. Hamid et, al., “The Temple University Artifact Corpus: An Annotated Corpus of EEG Artifacts.” in Proceedings of the IEEE Signal Processing in Medicine and Biology Symposium (SPMB), 2020, pp. 1-3. https://ieeexplore.ieee.org/document/9353647. [4] Y. Roy, R. Iskander, and J. Picone, “The NeurekaTM 2020 Epilepsy Challenge,” NeuroTechX, 2020. [Online]. Available: https://neureka-challenge.com/. [Accessed: 01-Dec-2021]. [5] S. Rahman, A. Hamid, D. Ochal, I. Obeid, and J. Picone, “Improving the Quality of the TUSZ Corpus,” in Proceedings of the IEEE Signal Processing in Medicine and Biology Symposium (SPMB), 2020, pp. 1–5. https://ieeexplore.ieee.org/document/9353635. [6] V. Shah, E. von Weltin, T. Ahsan, I. Obeid, and J. Picone, “On the Use of Non-Experts for Generation of High-Quality Annotations of Seizure Events,” Available: https://www.isip.picone press.com/publications/unpublished/journals/2019/elsevier_cn/ira. [Accessed: 01-Dec-2021]. [7] D. Ochal, S. Rahman, S. Ferrell, T. Elseify, I. Obeid, and J. Picone, “The Temple University Hospital EEG Corpus: Annotation Guidelines,” Philadelphia, Pennsylvania, USA, 2020. https://www.isip.piconepress.com/publications/reports/2020/tuh_eeg/annotations/. [8] D. 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