YY Chen, MR Kunz, X He, R Fushimi - Current Opinion in Chemical …, 2022 - Elsevier
Data-driven approaches are currently renovating the field of heterogenous catalysis and open the door to advance catalyst design. Their success depends heavily on the synergy …
In this paper, a modified method of anomaly detection using convolutional autoencoders is employed to predict phase transitions in several statistical mechanical models on a square …
A Tirelli, DO Carvalho, LA Oliveira, JP de Lima… - The European Physical …, 2022 - Springer
In this paper, we study phase transitions of the q-state Potts model through a number of unsupervised machine learning techniques, namely Principal Component Analysis (PCA), k …
GLG Pavioni, M Arlego, CA Lamas - Computational Materials Science, 2024 - Elsevier
In this article, we explore the potential of artificial neural networks, which are trained using an exceptionally simplified catalog of ideal configurations encompassing both order and …
D Bayo, B Çivitcioğlu, JJ Webb, A Honecker… - Journal of the Physical …, 2025 - journals.jps.jp
The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In …
DW Tola, M Bekele - Condensed Matter, 2023 - mdpi.com
This paper presents the investigation of convolutional neural network (CNN) prediction successfully recognizing the temperature of the nonequilibrium phase transitions in two …
Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often non-differentiable parameter spaces, such as phase …
DB Lee, HG Yoon, SM Park, JW Choi, G Chen… - Scientific Reports, 2023 - nature.com
We construct a deep neural network to enhance the resolution of spin structure images formed by spontaneous symmetry breaking in the magnetic systems. Through the deep …
Recently, deep generative models using machine intelligence are widely utilized to investigate scientific systems by generating scientific data. In this study, we experiment with …