November 2023

Journal

Off-the-shelf deep learning is not enough, and requires parsimony, Bayesianity, and causality

By:
Vasudevan, Rama K; Ziatdinov, Maxim A; Vlcek, Lukas ; Kalinin, Sergei V
Journal Name:
npj Computational Materials
Page Number:
1-6
Volume:
7
Issue Number:
1
Publication Date:
November 9, 2023
View DOI Listing:
https://doi.org/10.1038/s41524-020-00487-0

Abstract

Deep neural networks (‘deep learning’) have emerged as a technology of choice to tackle problems in speech recognition, computer vision, finance, etc. However, adoption of deep learning in physical domains brings substantial challenges stemming from the correlative nature of deep learning methods compared to the causal, hypothesis driven nature of modern science. We argue that the broad adoption of Bayesian methods incorporating prior knowledge, development of solutions with incorporated physical constraints and parsimonious structural descriptors and generative models, and ultimately adoption of causal models, offers a path forward for fundamental and applied research.


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