Recent advances and applications of deep learning methods in materials science

K Choudhary, B DeCost, C Chen, A Jain… - npj Computational …, 2022 - nature.com
Deep learning (DL) is one of the fastest-growing topics in materials data science, with
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …

Explainable machine learning in materials science

X Zhong, B Gallagher, S Liu, B Kailkhura… - npj computational …, 2022 - nature.com
Abstract Machine learning models are increasingly used in materials studies because of
their exceptional accuracy. However, the most accurate machine learning models are …

A strategic approach to machine learning for material science: how to tackle real-world challenges and avoid pitfalls

P Karande, B Gallagher, TYJ Han - Chemistry of Materials, 2022 - ACS Publications
The exponential growth and success of machine learning (ML) has resulted in its application
in all scientific domains including material science. Advancement in experimental …

An uncertainty-informed framework for trustworthy fault diagnosis in safety-critical applications

T Zhou, L Zhang, T Han, EL Droguett, A Mosleh… - Reliability Engineering & …, 2023 - Elsevier
Deep learning-based models, while highly effective for prognostics and health management,
fail to reliably detect the data unknown in the training stage, referred to as out-of-distribution …

Towards building specialized generalist ai with system 1 and system 2 fusion

K Zhang, B Qi, B Zhou - arxiv preprint arxiv:2407.08642, 2024 - arxiv.org
In this perspective paper, we introduce the concept of Specialized Generalist Artificial
Intelligence (SGAI or simply SGI) as a crucial milestone toward Artificial General Intelligence …

Artificial intelligence approaches for energetic materials by design: state of the art, challenges, and future directions

JB Choi, PCH Nguyen, O Sen… - Propellants …, 2023 - Wiley Online Library
Artificial intelligence (AI) is rapidly emerging as a enabling tool for solving complex materials
design problems. This paper aims to review recent advances in AI‐driven materials‐by …

On the fly neural style smoothing for risk-averse domain generalization

A Mehra, Y Zhang, B Kailkhura… - Proceedings of the …, 2024 - openaccess.thecvf.com
Achieving high accuracy on data from domains unseen during training is a fundamental
challenge in domain generalization (DG). While state-of-the-art DG classifiers have …

Non-Invasive Biosensing for Healthcare Using Artificial Intelligence: A Semi-Systematic Review

T Islam, P Washington - Biosensors, 2024 - mdpi.com
The rapid development of biosensing technologies together with the advent of deep learning
has marked an era in healthcare and biomedical research where widespread devices like …

Advanced virtual modelling aided stochastic nonlinear dynamic stability analysis of the GPLR-FGP plate in thermal environments

L Bo, J Zhang, H Wang - Thin-Walled Structures, 2024 - Elsevier
This paper explores the crucial yet challenging task of stochastic nonlinear dynamic
buckling investigations of the GPLR-FGP plate under biaxial impacts in thermal …

Data integration for multiple alkali metals in predicting coordination energies based on Bayesian inference

K Obinata, T Nakayama, A Ishikawa… - … and Technology of …, 2022 - Taylor & Francis
Building machine learning models using a dataset calculated by first principles calculations
is an important approach to explore the next-generation batteries. In previous studies, the …